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Property estimates
At least logP or TPSA is computed.
47 tools have this, 16 of them shown here. 4 do not. 77 not established.
What powers it: RDKit.js (WebAssembly) (3), Molecular Networks MOSES.logP (bundled calculator module); BioByte CLogP/CMR (bundled algorithms) (1), Ported from RDKit (Rust descriptors) (1), Indigo 1.46.0 indigo-ketcher-norender (browser WebAssembly; logP, pKa, molar refractivity) (1), RDKit Descriptors (C++) (1), Indigo (WebAssembly, Wildman–Crippen logP and molar refractivity); In-house (TypeScript Ertl TPSA, Joback, ESOL and pKa calculators; thermo and Dimorphite-DL table values, PatWalters/solubility ESOL coefficients) (1), RDKit MinimalLib (vendored WebAssembly; Crippen logP and TPSA) (1), RDKit.js (WebAssembly, Crippen logP and TPSA); PubChem web service for XLogP3 (1), Bundled OpenChemLib 9.25.1 JavaScript MoleculeProperties for cLogP, TPSA and related descriptors (1), OpenChemLib JS 9.25.0 (bundled Java-to-JavaScript library, MoleculeProperties.logP and polarSurfaceArea) (1), RDKit MinimalLib 2026.9.1 (WebAssembly Crippen logP, TPSA and other descriptors); In-house (TypeScript additional property estimates) (1), Ported from RDKit (Crippen SMARTS data in chematic-chem, Rust/WebAssembly); In-house (Ertl TPSA) (1), PubChem web service (XLogP/TPSA record lookup via site server proxy) (1), RDKit (Python bindings, local server) (1), RDKit (Python Descriptors; Crippen logP and TPSA); optional PubChem PUG REST property lookup (1), OpenChemLib (JavaScript npm package, MoleculeProperties) (1), RDKit native Python bindings (Descriptors, Lipinski and rdMolDescriptors) (1), OpenChemLib JS (JavaScript, MoleculeProperties logP and polarSurfaceArea) (1), In-house (JavaScript Ertl TPSA and partial Wildman-Crippen logP) (1), RDKit (Python) (1), ChemDoodle Java API (remote iChemLabs CloudServices; calculate with xlogp2 and tpsa descriptors) (1), RDKit (Python rdMolDescriptors; Crippen logP and TPSA) (1), Ported from MLP_Tools (Python/NumPy fragment-based logP) (1), In-house (Molsoft MolLogP predictor, remote server in hosted property demo) (1), Ported from OpenChemLib PropertyCalculator, CLogPPredictor and PolarSurfaceAreaPredictor (Java compiled to JavaScript with GWT) (1), In-house (Dotmatics C Chemistry Toolkit, iOS) (1), In-house (C++ log Kow fragment estimator) (1), In-house (ChemDoodle Java API descriptor algorithms, local) (1), Indigo (WebAssembly logP, pKa and molar refractivity) (1), In-house Chemaxon Calculator Plugins (local Java LogPPlugin/TPSAPlugin) (1), RDKit.js (browser WebAssembly get_descriptors, CrippenClogP and TPSA); RDKit (desktop rdkitAPI IPC) (1), In-house Marvin Web Services calculator and JChem Microservices calculations (remote Java services) (1), CDKSwiftNativePort (native Swift CDKXLogPDescriptor and CDKTPSADescriptor) (1), RDKit (native C++ Descriptors::calcCrippenDescriptors, cLogP) (1), RDKit (remote FastAPI chemistry server) (1), RDKit (native C API rdkitcffi.dll with descriptor extension) (1), MMDS core library (Objective-C, local) (1)
- Tested by running it
- Seen in the app
- The manual says yes
- Partly, with the reason shown
- Not supported
- Not established, which is not the same as no
Select a mark for its proof. A filled mark opens our screenshot, or the manual if the check left nothing to picture. A ring opens the manual.
Yes, tested by running it: Paclitaxel details displayed logP 3.736. MolDraw
4.0
Uses Indigo 1.46.0 indigo-ketcher-norender (browser WebAssembly; logP, pKa, molar refractivity)
Molecule details show calculated logP and other properties.
Yes, tested by running it: Cholesterol panel showed cLogP 7.39 and TPSA 20.2. Penzene
2.0.0
Uses RDKit Descriptors (C++)
Properties panel showing cLogP, TPSA and other estimates.
Yes, tested by running it: Caffeine properties panel showed logP 0.06 and tPSA 61.82. Octet Draw
1.1.0
Uses Indigo (WebAssembly, Wildman–Crippen logP and molar refractivity); In-house (TypeScript Ertl TPSA, Joback, ESOL and pKa calculators; thermo and Dimorphite-DL table values, PatWalters/solubility ESOL coefficients)
Caffeine properties include logP and tPSA estimates.
Yes, tested by running it: Caffeine cLogP and TPSA displayed. SketchIQ
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Uses RDKit.js (WebAssembly, Crippen logP and TPSA); PubChem web service for XLogP3
Caffeine structure with cLogP and TPSA values.
Yes, tested by running it: Caffeine cLogP -0.18 and TPSA 58.4 displayed. Reactio Draw
1.10
Uses Bundled OpenChemLib 9.25.1 JavaScript MoleculeProperties for cLogP, TPSA and related descriptors
Caffeine drawing with cLogP and TPSA values.
Yes, tested by running it: Ethanol showed TPSA 20.23 and LogP -0.001. FreeChemDraw
3.18.0
Calculated TPSA and LogP in the molecular properties results.
Yes, tested by running it: Caffeine clogP, MR, TPSA and HBD/HBA computed. vibe-sketcher
0.6.5
Uses RDKit (Python bindings, local server)
Caffeine structure with calculated clogP, TPSA and other estimates.
Yes, tested by running it: Caffeine cLogP -0.18 and TPSA 58.4 square angstroms displayed. MolCanvas
0.4.0
Uses OpenChemLib (JavaScript npm package, MoleculeProperties)
Caffeine structure with cLogP and TPSA values.
Partly: Panel computes logP and tPSA, but caffeine identifiers are incorrect. Kendraw
0.1.0
Uses RDKit native Python bindings (Descriptors, Lipinski and rdMolDescriptors)
Partly: Panel computes logP and tPSA, but caffeine identifiers are incorrect.
Structure beside the properties panel with logP and tPSA.
Yes, tested by running it: Cards displayed cLogP and TPSA for imported structures. BoltzDraw
Ketcher 2.24.0
Uses RDKit.js (WebAssembly)
Molecule card showing molecular weight, cLogP, TPSA and other properties.
Partly: logP and TPSA shown; explicit-hydrogen formula was incorrect. Chemliora
15.19.0
Uses OpenChemLib JS (JavaScript, MoleculeProperties logP and polarSurfaceArea)
Partly: logP and TPSA shown; explicit-hydrogen formula was incorrect.
Property estimates table with formula, molecular weight, and logP.
Yes, tested by running it: Imported structures show logP, TPSA, hydrogen bonding, and ring counts. BondForge
commit b68de22
Uses RDKit (Python)
Properties panel showing logP, TPSA, and other molecular values.
Yes, tested by running it: Cholesterol LogP 7.389 and TPSA 20.23 displayed. MoleditPy
5.1.3
Uses RDKit (Python rdMolDescriptors; Crippen logP and TPSA)
Molecule analysis displays LogP and TPSA values.
Yes, tested by running it: Caffeine logP and TPSA displayed. WaveSpeed AI Chemical Structure Drawer
cBQ3oDFlZ9g0696A_FKvj
Uses RDKit.js (WebAssembly)
Caffeine structure with logP and TPSA values.
Yes, tested by running it: Caffeine calculation returned logP and PSA. Molsoft HTML5 Molecule Editor
v1.6.0
Uses In-house (Molsoft MolLogP predictor, remote server in hosted property demo)
Caffeine properties including MolLogP and MolPSA.
Yes, tested by running it: Displays cLogP, TPSA and other properties. Molecule Clipboard
6e00a7d
Uses RDKit.js (WebAssembly)
Caffeine structure with cLogP and TPSA values.
Available, no screenshot
ChemDraw's license keeps us from publishing pictures of its interface.
- Yes, tested by running it: Caffeine Chemical Properties displayed Log P -1.03 and tPSA 61.82. Opens the cited page.ChemDrawUses Molecular Networks MOSES.logP (bundled calculator module); BioByte CLogP/CMR (bundled algorithms). Caffeine Chemical Properties displayed Log P -1.03 and tPSA 61.82.
- Yes, tested by running it: Ethanol: cLogP -0.00; TPSA 20.23 square angstroms. Opens the cited page.ReShikiUses Ported from RDKit (Rust descriptors). Ethanol: cLogP -0.00; TPSA 20.23 square angstroms.Source
- Yes, according to the manual: Includes logP and TPSA. Opens the cited page.ChemDraftUses RDKit MinimalLib (vendored WebAssembly; Crippen logP and TPSA). Includes logP and TPSA.Source
- Yes, according to the manual: OpenChemLib computes logP and TPSA. Opens the cited page.ChemEditUses OpenChemLib JS 9.25.0 (bundled Java-to-JavaScript library, MoleculeProperties.logP and polarSurfaceArea). OpenChemLib computes logP and TPSA.Source
- Yes, tested by running it: Ethanol analysis displayed cLogP and tPSA. Opens the cited page.Chem IllustratorUses RDKit MinimalLib 2026.9.1 (WebAssembly Crippen logP, TPSA and other descriptors); In-house (TypeScript additional property estimates). Ethanol analysis displayed cLogP and tPSA.Source
- Yes, tested by running it: Property panel displayed MW, LogP, and ring count. Opens the cited page.Chematic DrawUses Ported from RDKit (Crippen SMARTS data in chematic-chem, Rust/WebAssembly); In-house (Ertl TPSA). Property panel displayed MW, LogP, and ring count.Source
- Partly: PubChem lookup returned XLogP and TPSA. Opens the cited page.Molecule Lab (The Freshman Mole)Uses PubChem web service (XLogP/TPSA record lookup via site server proxy). PubChem lookup returned XLogP and TPSA.Source
- Yes, according to the manual: Offline RDKit logP and TPSA estimates for organic molecules. Opens the cited page.ErezDrawUses RDKit (Python Descriptors; Crippen logP and TPSA); optional PubChem PUG REST property lookup. Offline RDKit logP and TPSA estimates for organic molecules.Source
- Yes, tested by running it: Calculator returned caffeine logP and TPSA. Opens the cited page.MolChartCalculator returned caffeine logP and TPSA.Source
- Yes, tested by running it: Properties dialog displayed estimated logP and TPSA. Opens the cited page.Zeanium Molecule DrawerUses In-house (JavaScript Ertl TPSA and partial Wildman-Crippen logP). Properties dialog displayed estimated logP and TPSA.Source
- Yes, tested by running it: Calculator returned polar surface area and other descriptors. Opens the cited page.ChemDoodle Web ComponentsUses ChemDoodle Java API (remote iChemLabs CloudServices; calculate with xlogp2 and tpsa descriptors). Calculator returned polar surface area and other descriptors.Source
- Yes, tested by running it: Descriptor CSV reports cholesterol LogP 6.814388959638463. Opens the cited page.PyChem-ProUses Ported from MLP_Tools (Python/NumPy fragment-based logP). Descriptor CSV reports cholesterol LogP 6.814388959638463.Source
- Yes, according to the manual: API computes logP and polar surface area. Opens the cited page.OpenChemLib JS editorUses Ported from OpenChemLib PropertyCalculator, CLogPPredictor and PolarSurfaceAreaPredictor (Java compiled to JavaScript with GWT). API computes logP and polar surface area.Source
- Yes, according to the manual: Separate SMILES analyzer computes Crippen logP and TPSA. Opens the cited page.MolSketchSeparate SMILES analyzer computes Crippen logP and TPSA.Source
- Yes, according to the manual: iOS edition predicts LogP; vendor claim. Opens the cited page.Dotmatics Elemental / Elemental DrawUses In-house (Dotmatics C Chemistry Toolkit, iOS). iOS edition predicts LogP; vendor claim.Source
- Yes, according to the manual: Estimates log Kow. Opens the cited page.XDrawChemUses In-house (C++ log Kow fragment estimator). Estimates log Kow.Source
- Yes, according to the manual: Includes logP and TPSA estimates. Opens the cited page.ChemDoodle 2DUses In-house (ChemDoodle Java API descriptor algorithms, local). Includes logP and TPSA estimates.Source
- Yes, according to the manual: Indigo computes logP, pKa and molar refractivity. Opens the cited page.LabCanvas Figure Editor / MolDrawUses Indigo (WebAssembly logP, pKa and molar refractivity). Indigo computes logP, pKa and molar refractivity.Source
- Yes, according to the manual: logP and TPSA available inside licensed MarvinSketch. Opens the cited page.Marvin Desktop Suite / MarvinSketchUses In-house Chemaxon Calculator Plugins (local Java LogPPlugin/TPSAPlugin). logP and TPSA available inside licensed MarvinSketch.Source
- Yes, according to the manual. Opens the cited page.InDrawUses RDKit.js (browser WebAssembly get_descriptors, CrippenClogP and TPSA); RDKit (desktop rdkitAPI IPC). Source
- Yes, according to the manual: vendor claim; HlogP and polar surface area. Opens the cited page.BIOVIA Drawvendor claim; HlogP and polar surface area.Source
- Yes, according to the manual: cLogP appears in the official properties-panel screenshot. Opens the cited page.Zoho ChemStudiocLogP appears in the official properties-panel screenshot.Source
- Yes, according to the manual: TPSA and Mannhold/Crippen logP. Opens the cited page.ChemPencilTPSA and Mannhold/Crippen logP.Source
- Yes, according to the manual: Freeware includes logP prediction. Opens the cited page.ACD/ChemSketchFreeware includes logP prediction.Source
- Yes, according to the manual: vendor claim; logP, logS and pKa predictions. Opens the cited page.Marvin CloudUses In-house Marvin Web Services calculator and JChem Microservices calculations (remote Java services). vendor claim; logP, logS and pKa predictions.Source
- Yes, according to the manual: Calculates XLogP and Rule-of-Five status. Opens the cited page.AtomLensUses CDKSwiftNativePort (native Swift CDKXLogPDescriptor and CDKTPSADescriptor). Calculates XLogP and Rule-of-Five status.Source
- Yes, according to the manual: Computes Crippen cLogP through RDKit. Opens the cited page.ChemCADUses RDKit (native C++ Descriptors::calcCrippenDescriptors, cLogP). Computes Crippen cLogP through RDKit.Source
- Yes, according to the manual: RDKit computes logP and TPSA; calculations remain free. Opens the cited page.ChemStitchUses RDKit (remote FastAPI chemistry server). RDKit computes logP and TPSA; calculations remain free.Source
- Yes, according to the manual: Properties panel calculates logP and TPSA; vendor claim. Opens the cited page.Elk_Draw RDKitUses RDKit (native C API rdkitcffi.dll with descriptor extension). Properties panel calculates logP and TPSA; vendor claim.Source
- Yes, according to the manual: Calculates logP locally. Opens the cited page.MolPrime+Uses MMDS core library (Objective-C, local). Calculates logP locally.Source
- Yes, according to the manual: clogP, HSP and IOB; vendor claim. Opens the cited page.Chem Sketcher (Non_REM.Persona Laboratory)clogP, HSP and IOB; vendor claim.Source
Not available
- No: Calculated Values showed formula, masses and elemental analysis only. Opens the cited page.MolbrettCalculated Values showed formula, masses and elemental analysis only.
- No: Wrapper property panel stayed empty after importing molecules. Opens the cited page.KetchDrawWrapper property panel stayed empty after importing molecules.Source
- No: XLogP calculation remains planned. Opens the cited page.ChemifreeXLogP calculation remains planned.Source
- No: Calculation backend implements formula and masses, excluding logP and TPSA. Opens the cited page.Chemistry DrawCalculation backend implements formula and masses, excluding logP and TPSA.Source
Not established (77)
Covalent, ChemThisTry, Sciformation VectorMol, Chemeditor (Chemrise), ChemCanvas, MolView.com, Ketcher, AI Chemical Drawing (CubicZnS), OpenReactions, chemfig, Molecule Builder (OvOHongYu), Chemvas, Schrödinger Sketcher, Molsketch, Chemable, cDraw, BondCraft, JChemPaint, MolGLideX, SketchScape, ChemSema, Structura (chem-structura), SketchEl 2, Kekule.js, SketchEl, JSME Molecule Editor, RadSketch, Ketcherails (ketcher-rails), Butlerov, schematic, ChemMD, WebMolKit, rdEditor, ChemCanvasJS, Chemical Structure Editor (CSE), Kemia, JMolDraw, MolTouch, Chemeditor (Chemie-Lernprogramme), SketChem, vue-chemdraw (0chem), ChemWriter, MCDL Java Chemical Structure Editor, Glass, molsketch-cljs, MolPad, BKChem Python 3 Modernized, ChemDraft (元素智研), Marvin JS, BKChem, ChemWindow (KnowItAll ChemWindow Edition), GChemPaint, KingDraw, Ferrum Chemical Forge, Chem4Word, Chemtool, Lhendraw, JSDraw, MoleculeSketch, FX ChemStruct / FX Draw Chemical Structures, Chemistry 4-D Draw, BondDraw, ChemGraphic 2, EasyChem, MolSketchGo, MyChemise, CyBy-Draw, Chem+ Molecular Structure Editor, MolGenDraw, Chirys Draw, ChemScribble, Structo, Chemograph Plus, alvaSketcher, moled, ChemWorks, Molecule