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MMsINC code: MMs00445712

Type: Ionized
Formula: C₁₆H₁₃ClNO₃-

SMILES:

Clc1ccc(cc1)C(=O)NC(Cc1ccccc1)C(=O)[O-]

InChI:

InChI=1/C16H14ClNO3/c17-13-8-6-12(7-9-13)15(19)18-14(16(20)21)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,18,19)(H,20,21)/p-1/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=63.4034 kcal/mol

Physical Properties
Molecular Weight: 302.737 g/mol	logS: -4.35096	SlogP: 1.43097	Reactive groups: 0

Topological Properties
Globularity: 0.159354	Sterimol/B1: 2.53875	Sterimol/B2: 3.40874	Sterimol/B3: 4.02817
Sterimol/B4: 8.67173	Sterimol/L: 14.241

Surface and Volume Properties
Accessible surface: 517.854	Positive charged surface: 231.271	Negative charged surface: 286.583	Volume: 275.625
Hydrophobic surface: 408.989	Hydrophilic surface: 108.865

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

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:

MMs00445711
AURORAFEINCHEMIE-ZINC00069535