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NCID-ZINC04801997

 MMsINC code: MMs02407221
Type: Neutral
Formula: C8H16O8S
SMILES:   S(OC1C(O)C(O)C(OC1CO)OC)(=O)(=O)C
InChI:   InChI=1/C8H16O8S/c1-14-8-6(11)5(10)7(4(3-9)15-8)16-17(2,12)13/h4-11H,3H2,1-2H3/t4-,5-,6-,7+,8-/m0/s1

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Potential Energy
Epot(MMFF94)=88.8178 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.274 g/mol  logS: 0.3365  SlogP: -2.5834  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130246  Sterimol/B1: 3.48618  Sterimol/B2: 3.98208  Sterimol/B3: 4.5452
  Sterimol/B4: 5.78709  Sterimol/L: 12.6555 
 
 Surface and Volume Properties
  Accessible surface: 437.749  Positive charged surface: 307.418  Negative charged surface: 130.331  Volume: 216.75
  Hydrophobic surface: 234.884  Hydrophilic surface: 202.865
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 8  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 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: no related molecules available.