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MMsINC code: MMs03193834

Type: Neutral
Formula: C₁₅H₁₂ClNO₃

SMILES:

Clc1ccc(NC(=O)Cc2ccccc2)cc1C(O)=O

InChI:

InChI=1/C15H12ClNO3/c16-13-7-6-11(9-12(13)15(19)20)17-14(18)8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,17,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=71.6808 kcal/mol

Physical Properties
Molecular Weight: 289.718 g/mol	logS: -4.12003	SlogP: 3.21937	Reactive groups: 0

Topological Properties
Globularity: 0.0707051	Sterimol/B1: 3.21893	Sterimol/B2: 4.10447	Sterimol/B3: 4.29247
Sterimol/B4: 5.55366	Sterimol/L: 15.1607

Surface and Volume Properties
Accessible surface: 508.372	Positive charged surface: 271.447	Negative charged surface: 236.926	Volume: 259.125
Hydrophobic surface: 382.421	Hydrophilic surface: 125.951

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

MMs03193835
PUBCHEM-ZINC05050514