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PUBCHEM-ZINC05382686

 MMsINC code: MMs03253160
Type: Neutral
Formula: C4H8O6S2
SMILES:   S(OC1CS(=O)(=O)CC1O)(O)=O
InChI:   InChI=1/C4H8O6S2/c5-3-1-12(8,9)2-4(3)10-11(6)7/h3-5H,1-2H2,(H,6,7)/t3-,4+/m0/s1

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Potential Energy
Epot(MMFF94)=26.6341 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 216.234 g/mol  logS: -0.0726  SlogP: -2.2681  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.133024  Sterimol/B1: 2.95491  Sterimol/B2: 3.19831  Sterimol/B3: 3.50323
  Sterimol/B4: 4.21847  Sterimol/L: 10.647 
 
 Surface and Volume Properties
  Accessible surface: 347.291  Positive charged surface: 187.836  Negative charged surface: 159.455  Volume: 145.625
  Hydrophobic surface: 108.193  Hydrophilic surface: 239.098
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs03253161
PUBCHEM-ZINC05382686