MMsINC Database Search


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MMsINC code: MMs02997558

Type: Neutral
Formula: C₁₂H₅Cl₆NO₂S

SMILES:

Clc1c(NS(=O)(=O)c2ccc(Cl)cc2)c(Cl)c(Cl)c(Cl)c1Cl

InChI:

InChI=1/C12H5Cl6NO2S/c13-5-1-3-6(4-2-5)22(20,21)19-12-10(17)8(15)7(14)9(16)11(12)18/h1-4,19H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=66.8595 kcal/mol

Physical Properties
Molecular Weight: 439.961 g/mol	logS: -7.45246	SlogP: 6.4078	Reactive groups: 0

Topological Properties
Globularity: 0.226441	Sterimol/B1: 4.08453	Sterimol/B2: 4.35583	Sterimol/B3: 4.46559
Sterimol/B4: 5.67433	Sterimol/L: 13.1543

Surface and Volume Properties
Accessible surface: 525.881	Positive charged surface: 115.597	Negative charged surface: 410.283	Volume: 300.75
Hydrophobic surface: 457.873	Hydrophilic surface: 68.008

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.