PUBCHEM-ZINC05561363

MMsINC code: MMs03307388

• Type: Neutral
• Formula: C₃H₈O₂S
• SMILES: S(O)(=O)CCC
• InChI: InChI=1/C3H8O2S/c1-2-3-6(4)5/h2-3H2,1H3,(H,4,5)

Potential Energy
Epot(MMFF94)=7.32823 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 108.161 g/mol
• logS: -0.28955
• SlogP: 0.0524
• Reactive groups: 0

Topological Properties

• Globularity: 0.0968502
• Sterimol/B1: 2.5446
• Sterimol/B2: 2.63938
• Sterimol/B3: 2.89286
• Sterimol/B4: 3.35634
• Sterimol/L: 9.62736

Surface and Volume Properties

• Accessible surface: 269.272
• Positive charged surface: 184.742
• Negative charged surface: 84.5301
• Volume: 97.25
• Hydrophobic surface: 134.822
• Hydrophilic surface: 134.45

Pharmacophoric Properties

• Hydrogen bond donors: 1
• Hydrogen bond acceptors: 2
• 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