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MMsINC code: MMs00794145

Type: Neutral
Formula: C₁₆H₁₅ClN₂O₃

SMILES:

Clc1ccc(NC(=O)NC(Cc2ccccc2)C(O)=O)cc1

InChI:

InChI=1/C16H15ClN2O3/c17-12-6-8-13(9-7-12)18-16(22)19-14(15(20)21)10-11-4-2-1-3-5-11/h1-9,14H,10H2,(H,20,21)(H2,18,19,22)/t14-/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=52.2852 kcal/mol

Physical Properties
Molecular Weight: 318.76 g/mol	logS: -3.98769	SlogP: 3.15737	Reactive groups: 0

Topological Properties
Globularity: 0.10748	Sterimol/B1: 2.52861	Sterimol/B2: 3.35584	Sterimol/B3: 4.0042
Sterimol/B4: 9.18691	Sterimol/L: 14.8818

Surface and Volume Properties
Accessible surface: 559.846	Positive charged surface: 277.059	Negative charged surface: 282.787	Volume: 286.875
Hydrophobic surface: 429.562	Hydrophilic surface: 130.284

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

MMs00794146
CHEMBRIDGE-ZINC04826766