MMsINC Database Search


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MMsINC code: MMs02153983

Type: Neutral
Formula: C₁₂H₇Cl₄NO₂S

SMILES:

Clc1c(NS(=O)(=O)c2cc(Cl)c(Cl)cc2)cccc1Cl

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=49.4516 kcal/mol

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

Topological Properties
Globularity: 0.277489	Sterimol/B1: 3.29711	Sterimol/B2: 4.33593	Sterimol/B3: 5.84847
Sterimol/B4: 5.95368	Sterimol/L: 12.124

Surface and Volume Properties
Accessible surface: 496.471	Positive charged surface: 131.723	Negative charged surface: 364.748	Volume: 271.625
Hydrophobic surface: 421.476	Hydrophilic surface: 74.995

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.