ACROSORGANICS-ZINC03861350

MMsINC code: MMs00015861

• Type: Ionized
• Formula: C₂H₅O₃S-
• SMILES: S(=O)(=O)([O-])CC
• InChI: InChI=1/C2H6O3S/c1-2-6(3,4)5/h2H2,1H3,(H,3,4,5)/p-1

Potential Energy
Epot(MMFF94)=5.87504 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 109.125 g/mol
• logS: -0.00982
• SlogP: -0.4485
• Reactive groups: 0

Topological Properties

• Globularity: 0.280177
• Sterimol/B1: 2.67167
• Sterimol/B2: 2.99103
• Sterimol/B3: 3.04347
• Sterimol/B4: 3.044
• Sterimol/L: 7.9759

Surface and Volume Properties

• Accessible surface: 240.457
• Positive charged surface: 102.026
• Negative charged surface: 138.431
• Volume: 81.375
• Hydrophobic surface: 102.685
• Hydrophilic surface: 137.772

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 0
• Acid groups: 3
• 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