MMsINC Database Search


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MMsINC code: MMs02659965

Type: Neutral
Formula: C₁₂H₉Cl₂NO₂S

SMILES:

Clc1c(NS(=O)(=O)c2ccccc2)cccc1Cl

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.4539 kcal/mol

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

Topological Properties
Globularity: 0.276141	Sterimol/B1: 2.79476	Sterimol/B2: 4.25249	Sterimol/B3: 4.8719
Sterimol/B4: 6.33595	Sterimol/L: 11.51

Surface and Volume Properties
Accessible surface: 460.071	Positive charged surface: 169.986	Negative charged surface: 290.085	Volume: 240.875
Hydrophobic surface: 384.155	Hydrophilic surface: 75.916

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.