MMsINC Database Search


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MMsINC code: MMs02555179

Type: Neutral
Formula: C₁₂H₉Cl₂NO₂S

SMILES:

Clc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1

InChI:

InChI=1/C12H9Cl2NO2S/c13-9-4-6-11(7-5-9)15-18(16,17)12-3-1-2-10(14)8-12/h1-8,15H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=26.0816 kcal/mol

Physical Properties
Molecular Weight: 302.181 g/mol	logS: -4.5153	SlogP: 3.7942	Reactive groups: 0

Topological Properties
Globularity: 0.20292	Sterimol/B1: 2.32362	Sterimol/B2: 3.23309	Sterimol/B3: 5.01737
Sterimol/B4: 6.47941	Sterimol/L: 13.2173

Surface and Volume Properties
Accessible surface: 471.146	Positive charged surface: 173.122	Negative charged surface: 298.024	Volume: 243.125
Hydrophobic surface: 388.619	Hydrophilic surface: 82.527

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	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.