PUBCHEM-ZINC02043767

MMsINC code: MMs02864153

• Type: Neutral
• Formula: C₄H₆O₃S₃
• SMILES: S(CC(O)=O)C(SCO)=S
• InChI: InChI=1/C4H6O3S3/c5-2-10-4(8)9-1-3(6)7/h5H,1-2H2,(H,6,7)

Potential Energy
Epot(MMFF94)=21.2935 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 198.287 g/mol
• logS: -2.76965
• SlogP: 0.7721
• Reactive groups: 0

Topological Properties

• Globularity: 0.0305448
• Sterimol/B1: 2.69616
• Sterimol/B2: 2.76215
• Sterimol/B3: 3.26766
• Sterimol/B4: 3.88678
• Sterimol/L: 12.4243

Surface and Volume Properties

• Accessible surface: 350.412
• Positive charged surface: 164.533
• Negative charged surface: 185.879
• Volume: 151
• Hydrophobic surface: 63.8938
• Hydrophilic surface: 286.5182

Pharmacophoric Properties

• Hydrogen bond donors: 3
• Hydrogen bond acceptors: 4
• 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