MMsINC Database Search


	Search \| Help \| MolPaint \| Roadmap \| Credits \| Feedback

MMsINC code: MMs01387848

Type: Neutral
Formula: C₁₃H₁₂FNO₂S₂

SMILES:

S(C)c1cc(NS(=O)(=O)c2ccccc2F)ccc1

InChI:

InChI=1/C13H12FNO2S2/c1-18-11-6-4-5-10(9-11)15-19(16,17)13-8-3-2-7-12(13)14/h2-9,15H,1H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=38.5634 kcal/mol

Physical Properties
Molecular Weight: 297.374 g/mol	logS: -4.3631	SlogP: 3.3484	Reactive groups: 0

Topological Properties
Globularity: 0.136654	Sterimol/B1: 3.29973	Sterimol/B2: 3.50093	Sterimol/B3: 4.5639
Sterimol/B4: 5.81805	Sterimol/L: 13.4805

Surface and Volume Properties
Accessible surface: 474.428	Positive charged surface: 227.605	Negative charged surface: 246.822	Volume: 249.75
Hydrophobic surface: 350.652	Hydrophilic surface: 123.776

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

search links for this molecule:

Ions/Tautomers related molecules: no related molecules available.