MMsINC Database Search


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MMsINC code: MMs02580116

Type: Neutral
Formula: C₁₂H₇Cl₄NO₂S

SMILES:

Clc1ccccc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl

InChI:

InChI=1/C12H7Cl4NO2S/c13-7-3-1-2-4-11(7)17-20(18,19)12-6-9(15)8(14)5-10(12)16/h1-6,17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=46.8494 kcal/mol

Physical Properties
Molecular Weight: 371.071 g/mol	logS: -5.98388	SlogP: 5.101	Reactive groups: 0

Topological Properties
Globularity: 0.15277	Sterimol/B1: 2.75521	Sterimol/B2: 3.57258	Sterimol/B3: 4.30112
Sterimol/B4: 6.78816	Sterimol/L: 13.1859

Surface and Volume Properties
Accessible surface: 498.818	Positive charged surface: 124.365	Negative charged surface: 374.453	Volume: 271.25
Hydrophobic surface: 431.198	Hydrophilic surface: 67.62

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: 1	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.