MMsINC Database Search


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MMsINC code: MMs03136930

Type: Neutral
Formula: C₁₆H₁₉NO₂S

SMILES:

S(=O)(=O)(NC(CC)(C)c1ccccc1)c1ccccc1

InChI:

InChI=1/C16H19NO2S/c1-3-16(2,14-10-6-4-7-11-14)17-20(18,19)15-12-8-5-9-13-15/h4-13,17H,3H2,1-2H3/t16-/m1/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=65.813 kcal/mol

Physical Properties
Molecular Weight: 289.399 g/mol	logS: -3.84695	SlogP: 3.6018	Reactive groups: 0

Topological Properties
Globularity: 0.188276	Sterimol/B1: 2.50933	Sterimol/B2: 3.89956	Sterimol/B3: 4.53993
Sterimol/B4: 7.22094	Sterimol/L: 13.1548

Surface and Volume Properties
Accessible surface: 486.723	Positive charged surface: 260.877	Negative charged surface: 225.846	Volume: 278.875
Hydrophobic surface: 398.46	Hydrophilic surface: 88.263

Pharmacophoric Properties
Hydrogen bond donors: 1	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 1

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.