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MMsINC code: MMs00967565

Type: Ionized
Formula: C₁₉H₁₆ClN₂O₃-

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)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=67.3846 kcal/mol

Physical Properties
Molecular Weight: 355.801 g/mol	logS: -4.87778	SlogP: 2.69869	Reactive groups: 0

Topological Properties
Globularity: 0.177269	Sterimol/B1: 2.38373	Sterimol/B2: 5.16672	Sterimol/B3: 6.49723
Sterimol/B4: 6.67488	Sterimol/L: 15.1162

Surface and Volume Properties
Accessible surface: 570.01	Positive charged surface: 291.634	Negative charged surface: 273.917	Volume: 327
Hydrophobic surface: 461.922	Hydrophilic surface: 108.088

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 1	Acid groups: 2	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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Parent related molecule:

MMs00967564
CHEMDIV-ZINC04920500