MMsINC Database Search


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MMsINC code: MMs02984951

Type: Neutral
Formula: C₁₂H₈Cl₃NO₂S

SMILES:

Clc1cc(Cl)cc(Cl)c1NS(=O)(=O)c1ccccc1

InChI:

InChI=1/C12H8Cl3NO2S/c13-8-6-10(14)12(11(15)7-8)16-19(17,18)9-4-2-1-3-5-9/h1-7,16H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=50.0794 kcal/mol

Physical Properties
Molecular Weight: 336.626 g/mol	logS: -5.24959	SlogP: 4.4476	Reactive groups: 0

Topological Properties
Globularity: 0.219178	Sterimol/B1: 3.15693	Sterimol/B2: 3.19198	Sterimol/B3: 5.01018
Sterimol/B4: 6.47802	Sterimol/L: 12.3469

Surface and Volume Properties
Accessible surface: 468.545	Positive charged surface: 159.525	Negative charged surface: 309.02	Volume: 256.5
Hydrophobic surface: 399.718	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: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.