MMsINC Database Search


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MMsINC code: MMs03172422

Type: Neutral
Formula: C₁₂H₇Cl₄NO₂S

SMILES:

Clc1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)ccc1Cl

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=25.5714 kcal/mol

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

Topological Properties
Globularity: 0.213017	Sterimol/B1: 2.4118	Sterimol/B2: 4.82639	Sterimol/B3: 5.28208
Sterimol/B4: 5.43785	Sterimol/L: 13.58

Surface and Volume Properties
Accessible surface: 512.225	Positive charged surface: 130.272	Negative charged surface: 381.953	Volume: 272.25
Hydrophobic surface: 430.486	Hydrophilic surface: 81.739

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.