ACROSORGANICS-ZINC01680418

MMsINC code: MMs00010730

• Type: Neutral
• Formula: C₃H₈O₃S
• SMILES: S(O)(=O)(=O)C(C)C
• InChI: InChI=1/C3H8O3S/c1-3(2)7(4,5)6/h3H,1-2H3,(H,4,5,6)

Potential Energy
Epot(MMFF94)=-5.62605 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 124.16 g/mol
• logS: -0.26551
• SlogP: -0.2831
• Reactive groups: 0

Topological Properties

• Globularity: 0.232805
• Sterimol/B1: 2.14863
• Sterimol/B2: 3.07468
• Sterimol/B3: 3.33402
• Sterimol/B4: 5.03874
• Sterimol/L: 8.38513

Surface and Volume Properties

• Accessible surface: 272.009
• Positive charged surface: 147.994
• Negative charged surface: 124.015
• Volume: 100.375
• Hydrophobic surface: 113.714
• Hydrophilic surface: 158.295

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