PUBCHEM-ZINC05410072

MMsINC code: MMs03260234

• Type: Neutral
• Formula: C₃H₈O₃S₃
• SMILES: S(O)(=O)(=O)C(CS)CS
• InChI: InChI=1/C3H8O3S3/c4-9(5,6)3(1-7)2-8/h3,7-8H,1-2H2,(H,4,5,6)

Potential Energy
Epot(MMFF94)=13.3237 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 188.292 g/mol
• logS: -1.58801
• SlogP: -0.4633
• Reactive groups: 1

Topological Properties

• Globularity: 0.153065
• Sterimol/B1: 3.03515
• Sterimol/B2: 3.09295
• Sterimol/B3: 3.30883
• Sterimol/B4: 4.87542
• Sterimol/L: 9.95834

Surface and Volume Properties

• Accessible surface: 321.644
• Positive charged surface: 173.741
• Negative charged surface: 147.903
• Volume: 138.5
• Hydrophobic surface: 142.459
• Hydrophilic surface: 179.185

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