MMsINC Database Search


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MMsINC code: MMs01626196

Type: Neutral
Formula: C₁₃H₁₂FNO₂S₂

SMILES:

S(C)c1ccccc1NS(=O)(=O)c1ccccc1F

InChI:

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

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=37.8745 kcal/mol

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

Topological Properties
Globularity: 0.268975	Sterimol/B1: 2.2854	Sterimol/B2: 2.61403	Sterimol/B3: 5.30089
Sterimol/B4: 7.91372	Sterimol/L: 11.8348

Surface and Volume Properties
Accessible surface: 455.025	Positive charged surface: 230.293	Negative charged surface: 224.732	Volume: 250
Hydrophobic surface: 353.762	Hydrophilic surface: 101.263

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.