MMsINC Database Search


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MMsINC code: MMs03321828

Type: Neutral
Formula: C₁₂H₉Cl₂NO₂S

SMILES:

Clc1cc(NS(=O)(=O)c2ccccc2)cc(Cl)c1

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.5451 kcal/mol

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

Topological Properties
Globularity: 0.214947	Sterimol/B1: 3.4427	Sterimol/B2: 3.53105	Sterimol/B3: 4.45656
Sterimol/B4: 6.47264	Sterimol/L: 12.4698

Surface and Volume Properties
Accessible surface: 471.122	Positive charged surface: 172.432	Negative charged surface: 298.69	Volume: 242.625
Hydrophobic surface: 389.579	Hydrophilic surface: 81.543

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.