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MMsINC code: MMs00727710

Type: Neutral
Formula: C₁₆H₁₅ClN₂O₃

SMILES:

Clc1cccc(NC(=O)Nc2ccc(cc2)CC(O)=O)c1C

InChI:

InChI=1/C16H15ClN2O3/c1-10-13(17)3-2-4-14(10)19-16(22)18-12-7-5-11(6-8-12)9-15(20)21/h2-8H,9H2,1H3,(H,20,21)(H2,18,19,22)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.1188 kcal/mol

Physical Properties
Molecular Weight: 318.76 g/mol	logS: -4.17768	SlogP: 3.91949	Reactive groups: 0

Topological Properties
Globularity: 0.0428157	Sterimol/B1: 2.09829	Sterimol/B2: 2.54253	Sterimol/B3: 3.94892
Sterimol/B4: 6.58085	Sterimol/L: 18.276

Surface and Volume Properties
Accessible surface: 550.027	Positive charged surface: 303.36	Negative charged surface: 246.667	Volume: 285.5
Hydrophobic surface: 407.194	Hydrophilic surface: 142.833

Pharmacophoric Properties
Hydrogen bond donors: 4	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

MMs00727711
CHEMBRIDGE-ZINC02856935