ACROSORGANICS-ZINC01666660

MMsINC code: MMs00010421

• Type: Neutral
• Formula: C₄H₁₀O₃S
• SMILES: S(O)(=O)(=O)CCCC
• InChI: InChI=1/C4H10O3S/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H,5,6,7)

Potential Energy
Epot(MMFF94)=-8.24707 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 138.187 g/mol
• logS: -0.65529
• SlogP: 0.1086
• Reactive groups: 0

Topological Properties

• Globularity: 0.0949134
• Sterimol/B1: 2.59854
• Sterimol/B2: 3.04345
• Sterimol/B3: 3.0466
• Sterimol/B4: 3.04756
• Sterimol/L: 10.9453

Surface and Volume Properties

• Accessible surface: 308.748
• Positive charged surface: 180.399
• Negative charged surface: 128.349
• Volume: 121.125
• Hydrophobic surface: 161.628
• Hydrophilic surface: 147.12

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