MMsINC Database Search


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MMsINC code: MMs02523091

Type: Neutral
Formula: C₁₆H₁₉FN₂O₄S₂

SMILES:

S(=O)(=O)(Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1)c1ccc(F)cc1

InChI:

InChI=1/C16H19FN2O4S2/c1-16(2,3)19-25(22,23)15-10-6-13(7-11-15)18-24(20,21)14-8-4-12(17)5-9-14/h4-11,18-19H,1-3H3

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=45.435 kcal/mol

Physical Properties
Molecular Weight: 386.468 g/mol	logS: -4.16131	SlogP: 2.7033	Reactive groups: 0

Topological Properties
Globularity: 0.099284	Sterimol/B1: 2.79374	Sterimol/B2: 3.72378	Sterimol/B3: 5.09924
Sterimol/B4: 5.67102	Sterimol/L: 15.6889

Surface and Volume Properties
Accessible surface: 575.424	Positive charged surface: 295.16	Negative charged surface: 280.264	Volume: 324.125
Hydrophobic surface: 376.662	Hydrophilic surface: 198.762

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 4	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.