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MMsINC code: MMs02942265

Type: Ionized
Formula: C₁₅H₁₂ClN₂O₃-

SMILES:

Clc1cccc(NC(=O)Nc2ccc(cc2)C(=O)[O-])c1C

InChI:

InChI=1/C15H13ClN2O3/c1-9-12(16)3-2-4-13(9)18-15(21)17-11-7-5-10(6-8-11)14(19)20/h2-8H,1H3,(H,19,20)(H2,17,18,21)/p-1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.6684 kcal/mol

Physical Properties
Molecular Weight: 303.725 g/mol	logS: -4.37666	SlogP: 2.65592	Reactive groups: 0

Topological Properties
Globularity: 0.00285995	Sterimol/B1: 2.07776	Sterimol/B2: 2.37932	Sterimol/B3: 2.37958
Sterimol/B4: 6.83905	Sterimol/L: 17.7008

Surface and Volume Properties
Accessible surface: 521.117	Positive charged surface: 232.773	Negative charged surface: 288.344	Volume: 273.25
Hydrophobic surface: 381.39	Hydrophilic surface: 139.727

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:

MMs02942264
PUBCHEM-ZINC02857956