MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs02112491

Type: Neutral
Formula: C₂₀H₁₇ClN₂O₃

SMILES:

Clc1ccc(Oc2ncccc2COC(=O)Nc2ccccc2C)cc1

InChI:

InChI=1/C20H17ClN2O3/c1-14-5-2-3-7-18(14)23-20(24)25-13-15-6-4-12-22-19(15)26-17-10-8-16(21)9-11-17/h2-12H,13H2,1H3,(H,23,24)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=75.0432 kcal/mol

Physical Properties
Molecular Weight: 368.82 g/mol	logS: -5.16228	SlogP: 5.85082	Reactive groups: 0

Topological Properties
Globularity: 0.0318987	Sterimol/B1: 2.98783	Sterimol/B2: 4.13419	Sterimol/B3: 4.36222
Sterimol/B4: 6.52725	Sterimol/L: 19.9982

Surface and Volume Properties
Accessible surface: 650.358	Positive charged surface: 365.508	Negative charged surface: 284.85	Volume: 341
Hydrophobic surface: 595.272	Hydrophilic surface: 55.086

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 1	Oprea's lead like rule: 1

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.