MMsINC Database Search


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MMsINC code: MMs00283419

Type: Neutral
Formula: C₁₂H₆Cl₅NO₂S

SMILES:

Clc1c(NS(=O)(=O)c2ccccc2)c(Cl)c(Cl)c(Cl)c1Cl

InChI:

InChI=1/C12H6Cl5NO2S/c13-7-8(14)10(16)12(11(17)9(7)15)18-21(19,20)6-4-2-1-3-5-6/h1-5,18H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.5755 kcal/mol

Physical Properties
Molecular Weight: 405.516 g/mol	logS: -6.71817	SlogP: 5.7544	Reactive groups: 0

Topological Properties
Globularity: 0.230426	Sterimol/B1: 3.40364	Sterimol/B2: 3.49928	Sterimol/B3: 5.12743
Sterimol/B4: 6.4509	Sterimol/L: 12.483

Surface and Volume Properties
Accessible surface: 498.061	Positive charged surface: 137.432	Negative charged surface: 360.629	Volume: 285.75
Hydrophobic surface: 429.234	Hydrophilic surface: 68.827

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.