MAYBRIDGE-ZINC00161319

MMsINC code: MMs02144207

• Type: Neutral
• Formula: C₅H₁₃NO₂S
• SMILES: S(=O)(=O)(CCN(C)C)C
• InChI: InChI=1/C5H13NO2S/c1-6(2)4-5-9(3,7)8/h4-5H2,1-3H3

Potential Energy
Epot(MMFF94)=13.1706 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 151.23 g/mol
• logS: 0.4004
• SlogP: -0.4074
• Reactive groups: 0

Topological Properties

• Globularity: 0.0930219
• Sterimol/B1: 2.06404
• Sterimol/B2: 3.00132
• Sterimol/B3: 3.50179
• Sterimol/B4: 5.19996
• Sterimol/L: 11.2398

Surface and Volume Properties

• Accessible surface: 337.978
• Positive charged surface: 245.706
• Negative charged surface: 92.2727
• Volume: 145
• Hydrophobic surface: 267.508
• Hydrophilic surface: 70.47

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 3
• 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