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MMsINC code: MMs00754925

Type: Neutral
Formula: C₁₆H₁₅ClN₂O₄

SMILES:

Clc1cc(NC(=O)NCc2ccc(cc2)C(O)=O)c(OC)cc1

InChI:

InChI=1/C16H15ClN2O4/c1-23-14-7-6-12(17)8-13(14)19-16(22)18-9-10-2-4-11(5-3-10)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)=47.9522 kcal/mol

Physical Properties
Molecular Weight: 334.759 g/mol	logS: -3.95016	SlogP: 3.6349	Reactive groups: 0

Topological Properties
Globularity: 0.0364007	Sterimol/B1: 2.49476	Sterimol/B2: 3.34102	Sterimol/B3: 3.85046
Sterimol/B4: 8.66618	Sterimol/L: 17.8095

Surface and Volume Properties
Accessible surface: 580.342	Positive charged surface: 342.024	Negative charged surface: 238.318	Volume: 295.125
Hydrophobic surface: 413.139	Hydrophilic surface: 167.203

Pharmacophoric Properties
Hydrogen bond donors: 4	Hydrogen bond acceptors: 4	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

MMs00754926
CHEMBRIDGE-ZINC03863981