MMsINC Database Search


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MMsINC code: MMs03784416

Type: Neutral
Formula: C₁₂H₁₀F₃NO₂S₂

SMILES:

s1cccc1CNS(=O)(=O)c1ccccc1C(F)(F)F

InChI:

InChI=1/C12H10F3NO2S2/c13-12(14,15)10-5-1-2-6-11(10)20(17,18)16-8-9-4-3-7-19-9/h1-7,16H,8H2

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=22.4994 kcal/mol

Physical Properties
Molecular Weight: 321.343 g/mol	logS: -3.85398	SlogP: 3.8233	Reactive groups: 0

Topological Properties
Globularity: 0.148666	Sterimol/B1: 2.20574	Sterimol/B2: 4.15713	Sterimol/B3: 4.58772
Sterimol/B4: 5.98475	Sterimol/L: 13.972

Surface and Volume Properties
Accessible surface: 468.651	Positive charged surface: 179.429	Negative charged surface: 289.222	Volume: 245.25
Hydrophobic surface: 327.679	Hydrophilic surface: 140.972

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.