PUBCHEM-ZINC06019785

MMsINC code: MMs03495002

• Type: Neutral
• Formula: C₃H₈O₅S₃
• SMILES: S(O)(=O)(=O)CCS(SC)(=O)=O
• InChI: InChI=1/C3H8O5S3/c1-9-11(7,8)3-2-10(4,5)6/h2-3H2,1H3,(H,4,5,6)

Potential Energy
Epot(MMFF94)=-19.0547 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 220.29 g/mol
• logS: -0.82606
• SlogP: -0.9987
• Reactive groups: 0

Topological Properties

• Globularity: 0.0920139
• Sterimol/B1: 2.83591
• Sterimol/B2: 3.18353
• Sterimol/B3: 3.41227
• Sterimol/B4: 5.23547
• Sterimol/L: 11.7767

Surface and Volume Properties

• Accessible surface: 359.338
• Positive charged surface: 134.721
• Negative charged surface: 224.618
• Volume: 153
• Hydrophobic surface: 129.437
• Hydrophilic surface: 229.901

Pharmacophoric Properties

• Hydrogen bond donors: 3
• Hydrogen bond acceptors: 5
• 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