NCID-ZINC01692160

MMsINC code: MMs02323980

• Type: Neutral
• Formula: C₄H₁₀O₄S
• SMILES: S(O)(=O)(=O)C(O)C(C)C
• InChI: InChI=1/C4H10O4S/c1-3(2)4(5)9(6,7)8/h3-5H,1-2H3,(H,6,7,8)/t4-/m0/s1

Potential Energy
Epot(MMFF94)=33.3026 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 154.186 g/mol
• logS: -0.02003
• SlogP: -0.7171
• Reactive groups: 0

Topological Properties

• Globularity: 0.234012
• Sterimol/B1: 2.00099
• Sterimol/B2: 3.32687
• Sterimol/B3: 3.55854
• Sterimol/B4: 4.69327
• Sterimol/L: 9.65643

Surface and Volume Properties

• Accessible surface: 302.034
• Positive charged surface: 167.16
• Negative charged surface: 134.874
• Volume: 123.875
• Hydrophobic surface: 116.802
• Hydrophilic surface: 185.232

Pharmacophoric Properties

• Hydrogen bond donors: 4
• Hydrogen bond acceptors: 4
• 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