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MMsINC code: MMs03668022

Type: Neutral
Formula: C₁₅H₁₂ClNO₃

SMILES:

Clc1cc(C(O)=O)c(NC(=O)c2ccccc2C)cc1

InChI:

InChI=1/C15H12ClNO3/c1-9-4-2-3-5-11(9)14(18)17-13-7-6-10(16)8-12(13)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=76.8986 kcal/mol

Physical Properties
Molecular Weight: 289.718 g/mol	logS: -4.53248	SlogP: 3.59892	Reactive groups: 0

Topological Properties
Globularity: 0.0344505	Sterimol/B1: 2.09619	Sterimol/B2: 2.38331	Sterimol/B3: 3.46185
Sterimol/B4: 7.21619	Sterimol/L: 15.008

Surface and Volume Properties
Accessible surface: 493.59	Positive charged surface: 245.336	Negative charged surface: 248.254	Volume: 255.75
Hydrophobic surface: 393.022	Hydrophilic surface: 100.568

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

MMs03668023
PUBCHEM-ZINC06302769