MMsINC Database Search


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MMsINC code: MMs02737509

Type: Neutral
Formula: C₁₂H₇Cl₄NO₂S

SMILES:

Clc1cc(Cl)ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=40.7297 kcal/mol

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

Topological Properties
Globularity: 0.151055	Sterimol/B1: 3.3655	Sterimol/B2: 3.62191	Sterimol/B3: 4.30749
Sterimol/B4: 6.64728	Sterimol/L: 12.0957

Surface and Volume Properties
Accessible surface: 505.037	Positive charged surface: 119.412	Negative charged surface: 385.624	Volume: 270
Hydrophobic surface: 434.479	Hydrophilic surface: 70.558

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.