OAKWOOD-ZINC02391909

MMsINC code: MMs02543702

• Type: Neutral
• Formula: C₄H₁₁NO₂S
• SMILES: S(=O)(=O)(N)C(C)(C)C
• InChI: InChI=1/C4H11NO2S/c1-4(2,3)8(5,6)7/h1-3H3,(H2,5,6,7)

Potential Energy
Epot(MMFF94)=-8.54766 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 137.203 g/mol
• logS: -0.76926
• SlogP: 0.0734
• Reactive groups: 0

Topological Properties

• Globularity: 0.525102
• Sterimol/B1: 2.1314
• Sterimol/B2: 2.37484
• Sterimol/B3: 4.39832
• Sterimol/B4: 4.87439
• Sterimol/L: 8.58913

Surface and Volume Properties

• Accessible surface: 295.29
• Positive charged surface: 170.199
• Negative charged surface: 125.091
• Volume: 123.5
• Hydrophobic surface: 123.437
• Hydrophilic surface: 171.853

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