NCID-ZINC01602578

MMsINC code: MMs02255402

• Type: Neutral
• Formula: C₄H₁₀O₃S
• SMILES: S(O)(=O)(=O)C(C)(C)C
• InChI: InChI=1/C4H10O3S/c1-4(2,3)8(5,6)7/h1-3H3,(H,5,6,7)

Potential Energy
Epot(MMFF94)=1.55178 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 138.187 g/mol
• logS: -0.59272
• SlogP: 0.107
• Reactive groups: 0

Topological Properties

• Globularity: 0.593824
• Sterimol/B1: 2.29374
• Sterimol/B2: 2.3746
• Sterimol/B3: 4.09436
• Sterimol/B4: 4.87463
• Sterimol/L: 8.35996

Surface and Volume Properties

• Accessible surface: 289.88
• Positive charged surface: 161.757
• Negative charged surface: 128.123
• Volume: 117.25
• Hydrophobic surface: 127.477
• Hydrophilic surface: 162.403

Pharmacophoric Properties

• Hydrogen bond donors: 3
• 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