NCID-ZINC01679601

MMsINC code: MMs02314177

• Type: Neutral
• Formula: C₄H₁₀O₄S
• SMILES: S(O)(=O)(=O)CC(CO)C
• InChI: InChI=1/C4H10O4S/c1-4(2-5)3-9(6,7)8/h4-5H,2-3H2,1H3,(H,6,7,8)/t4-/m0/s1

Potential Energy
Epot(MMFF94)=3.75409 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 154.186 g/mol
• logS: 0.18791
• SlogP: -1.0631
• Reactive groups: 0

Topological Properties

• Globularity: 0.131218
• Sterimol/B1: 1.98821
• Sterimol/B2: 2.75342
• Sterimol/B3: 3.62237
• Sterimol/B4: 4.71217
• Sterimol/L: 10.6001

Surface and Volume Properties

• Accessible surface: 309.667
• Positive charged surface: 187.524
• Negative charged surface: 122.143
• Volume: 125.875
• Hydrophobic surface: 126.879
• Hydrophilic surface: 182.788

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