ACROSORGANICS-ZINC02022078

MMsINC code: MMs00012405

• Type: Neutral
• Formula: C₃H₈O₃S
• SMILES: S(O)(=O)(=O)CCC
• InChI: InChI=1/C3H8O3S/c1-2-3-7(4,5)6/h2-3H2,1H3,(H,4,5,6)

Potential Energy
Epot(MMFF94)=-8.1442 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 124.16 g/mol
• logS: -0.14007
• SlogP: -0.2815
• Reactive groups: 0

Topological Properties

• Globularity: 0.126931
• Sterimol/B1: 2.44951
• Sterimol/B2: 2.97155
• Sterimol/B3: 3.04684
• Sterimol/B4: 3.04729
• Sterimol/L: 9.60926

Surface and Volume Properties

• Accessible surface: 275.831
• Positive charged surface: 153.396
• Negative charged surface: 122.435
• Volume: 102.75
• Hydrophobic surface: 131.622
• Hydrophilic surface: 144.209

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