NCID-ZINC05554835

MMsINC code: MMs02475318

• Type: Ionized
• Formula: C₂H₅O₂S-
• SMILES: S(=O)([O-])CC
• InChI: InChI=1/C2H6O2S/c1-2-5(3)4/h2H2,1H3,(H,3,4)/p-1

Potential Energy
Epot(MMFF94)=-0.372611 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 93.126 g/mol
• logS: -0.1593
• SlogP: -0.1146
• Reactive groups: 0

Topological Properties

• Globularity: 0.185711
• Sterimol/B1: 2.60666
• Sterimol/B2: 2.83267
• Sterimol/B3: 3.19707
• Sterimol/B4: 3.26692
• Sterimol/L: 7.98421

Surface and Volume Properties

• Accessible surface: 233.457
• Positive charged surface: 128.324
• Negative charged surface: 105.133
• Volume: 76.875
• Hydrophobic surface: 136.776
• Hydrophilic surface: 96.681

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 0
• Acid groups: 2
• 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