MMsINC Database Search


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MMsINC code: MMs02216112

Type: Neutral
Formula: C₁₆H₁₅ClN₂O₄

SMILES:

Clc1cc(NC(=O)Nc2ccccc2C(OC)=O)c(OC)cc1

InChI:

InChI=1/C16H15ClN2O4/c1-22-14-8-7-10(17)9-13(14)19-16(21)18-12-6-4-3-5-11(12)15(20)23-2/h3-9H,1-2H3,(H2,18,19,21)

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=84.3344 kcal/mol

Physical Properties
Molecular Weight: 334.759 g/mol	logS: -4.41845	SlogP: 3.7792	Reactive groups: 0

Topological Properties
Globularity: 0.0631862	Sterimol/B1: 2.08758	Sterimol/B2: 2.88596	Sterimol/B3: 5.76283
Sterimol/B4: 7.60593	Sterimol/L: 14.9975

Surface and Volume Properties
Accessible surface: 573.517	Positive charged surface: 363.989	Negative charged surface: 209.528	Volume: 297.25
Hydrophobic surface: 492.254	Hydrophilic surface: 81.263

Pharmacophoric Properties
Hydrogen bond donors: 2	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: no related molecules available.