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MMsINC code: MMs02945258

Type: Neutral
Formula: C₁₅H₁₃ClN₂O₃

SMILES:

Clc1ccc(NC(=O)NC(C(O)=O)c2ccccc2)cc1

InChI:

InChI=1/C15H13ClN2O3/c16-11-6-8-12(9-7-11)17-15(21)18-13(14(19)20)10-4-2-1-3-5-10/h1-9,13H,(H,19,20)(H2,17,18,21)/t13-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=55.0865 kcal/mol

Physical Properties
Molecular Weight: 304.733 g/mol	logS: -3.92622	SlogP: 3.3829	Reactive groups: 0

Topological Properties
Globularity: 0.062386	Sterimol/B1: 2.72916	Sterimol/B2: 3.3216	Sterimol/B3: 3.98713
Sterimol/B4: 6.28556	Sterimol/L: 17.0838

Surface and Volume Properties
Accessible surface: 533.316	Positive charged surface: 256.264	Negative charged surface: 277.052	Volume: 271.625
Hydrophobic surface: 400.341	Hydrophilic surface: 132.975

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 3	Acid groups: 0	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

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Ions/Tautomers related molecules

MMs02945259
PUBCHEM-ZINC02862961