NCID-ZINC01697301

MMsINC code: MMs02327907

• Type: Neutral
• Formula: C₄H₁₀O₄S
• SMILES: S(O)(=O)(=O)CCCCO
• InChI: InChI=1/C4H10O4S/c5-3-1-2-4-9(6,7)8/h5H,1-4H2,(H,6,7,8)

Potential Energy
Epot(MMFF94)=-4.41128 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 154.186 g/mol
• logS: 0.18791
• SlogP: -0.919
• Reactive groups: 0

Topological Properties

• Globularity: 0.076232
• Sterimol/B1: 2.16033
• Sterimol/B2: 3.0463
• Sterimol/B3: 3.04685
• Sterimol/B4: 3.46995
• Sterimol/L: 11.8707

Surface and Volume Properties

• Accessible surface: 326.787
• Positive charged surface: 201.673
• Negative charged surface: 125.114
• Volume: 128.125
• Hydrophobic surface: 148.897
• Hydrophilic surface: 177.89

Pharmacophoric Properties

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