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MMsINC code: MMs03193835

Type: Ionized
Formula: C₁₅H₁₁ClNO₃-

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)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.9528 kcal/mol

Physical Properties
Molecular Weight: 288.71 g/mol	logS: -4.38048	SlogP: 1.88467	Reactive groups: 0

Topological Properties
Globularity: 0.109626	Sterimol/B1: 2.79679	Sterimol/B2: 4.00821	Sterimol/B3: 4.62574
Sterimol/B4: 5.22045	Sterimol/L: 14.5094

Surface and Volume Properties
Accessible surface: 506.656	Positive charged surface: 222.284	Negative charged surface: 284.371	Volume: 260.75
Hydrophobic surface: 386.535	Hydrophilic surface: 120.121

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

search links for this molecule:

Parent related molecule:

MMs03193834
PUBCHEM-ZINC05050514