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MMsINC code: MMs02586228

Type: Ionized
Formula: C₁₄H₁₀ClN₂O₃-

SMILES:

Clc1ccc(NC(=O)Nc2ccc(cc2)C(=O)[O-])cc1

InChI:

InChI=1/C14H11ClN2O3/c15-10-3-7-12(8-4-10)17-14(20)16-11-5-1-9(2-6-11)13(18)19/h1-8H,(H,18,19)(H2,16,17,20)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.797 kcal/mol

Physical Properties
Molecular Weight: 289.698 g/mol	logS: -4.21619	SlogP: 2.3475	Reactive groups: 0

Topological Properties
Globularity: 1.51974e-08	Sterimol/B1: 2.09729	Sterimol/B2: 2.09774	Sterimol/B3: 2.75304
Sterimol/B4: 5.17067	Sterimol/L: 18.2707

Surface and Volume Properties
Accessible surface: 494.57	Positive charged surface: 211.732	Negative charged surface: 282.839	Volume: 254.125
Hydrophobic surface: 349.497	Hydrophilic surface: 145.073

Pharmacophoric Properties
Hydrogen bond donors: 2	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:

MMs02586227
OTAVA-ZINC04776651