MMsINC Database Search


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MMsINC code: MMs03619368

Type: Neutral
Formula: C₁₂H₇Cl₄NO₂S

SMILES:

Clc1cccc(Cl)c1NS(=O)(=O)c1cc(Cl)ccc1Cl

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=53.7213 kcal/mol

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

Topological Properties
Globularity: 0.293272	Sterimol/B1: 2.81529	Sterimol/B2: 4.55633	Sterimol/B3: 4.80398
Sterimol/B4: 6.55871	Sterimol/L: 11.2014

Surface and Volume Properties
Accessible surface: 472.746	Positive charged surface: 143.064	Negative charged surface: 329.682	Volume: 269.25
Hydrophobic surface: 414.221	Hydrophilic surface: 58.525

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.