MMsINC Database Search


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MMsINC code: MMs02809792

Type: Neutral
Formula: C₁₂H₇Cl₂F₂NO₂S

SMILES:

Clc1cc(NS(=O)(=O)c2cc(Cl)c(F)cc2)ccc1F

InChI:

InChI=1/C12H7Cl2F2NO2S/c13-9-5-7(1-3-11(9)15)17-20(18,19)8-2-4-12(16)10(14)6-8/h1-6,17H

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=33.3318 kcal/mol

Physical Properties
Molecular Weight: 338.161 g/mol	logS: -5.10526	SlogP: 4.0724	Reactive groups: 0

Topological Properties
Globularity: 0.273027	Sterimol/B1: 2.59353	Sterimol/B2: 4.4182	Sterimol/B3: 4.68478
Sterimol/B4: 5.71688	Sterimol/L: 12.4038

Surface and Volume Properties
Accessible surface: 478.933	Positive charged surface: 150.239	Negative charged surface: 328.695	Volume: 249
Hydrophobic surface: 398.322	Hydrophilic surface: 80.611

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.