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MMsINC code: MMs00967564

Type: Neutral
Formula: C₁₉H₁₇ClN₂O₃

SMILES:

Clc1cc2c([nH]c(C(O)=O)c2CC(=O)N(C)c2ccccc2C)cc1

InChI:

InChI=1/C19H17ClN2O3/c1-11-5-3-4-6-16(11)22(2)17(23)10-14-13-9-12(20)7-8-15(13)21-18(14)19(24)25/h3-9,21H,10H2,1-2H3,(H,24,25)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=79.7624 kcal/mol

Physical Properties
Molecular Weight: 356.809 g/mol	logS: -4.61733	SlogP: 4.03339	Reactive groups: 0

Topological Properties
Globularity: 0.139793	Sterimol/B1: 3.43021	Sterimol/B2: 4.42653	Sterimol/B3: 4.6282
Sterimol/B4: 8.01614	Sterimol/L: 14.5146

Surface and Volume Properties
Accessible surface: 582.366	Positive charged surface: 310.731	Negative charged surface: 267.642	Volume: 327
Hydrophobic surface: 463.539	Hydrophilic surface: 118.827

Pharmacophoric Properties
Hydrogen bond donors: 3	Hydrogen bond acceptors: 3	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules

MMs00967565
CHEMDIV-ZINC04920500