NCID-ZINC05554835

MMsINC code: MMs02475317

• Type: Neutral
• Formula: C₂H₆O₂S
• SMILES: S(O)(=O)CC
• InChI: InChI=1/C2H6O2S/c1-2-5(3)4/h2H2,1H3,(H,3,4)

Potential Energy
Epot(MMFF94)=7.21007 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 94.134 g/mol
• logS: -0.08778
• SlogP: -0.3377
• Reactive groups: 0

Topological Properties

• Globularity: 0.117309
• Sterimol/B1: 2.55856
• Sterimol/B2: 2.85216
• Sterimol/B3: 3.07969
• Sterimol/B4: 3.20816
• Sterimol/L: 8.40341

Surface and Volume Properties

• Accessible surface: 240.181
• Positive charged surface: 162.014
• Negative charged surface: 78.1668
• Volume: 79.125
• Hydrophobic surface: 104.102
• Hydrophilic surface: 136.079

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