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NCID-ZINC04801992

 MMsINC code: MMs02407218
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)=98.1917 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: 0.158967  Sterimol/B1: 3.48992  Sterimol/B2: 4.04085  Sterimol/B3: 4.87167
  Sterimol/B4: 5.4338  Sterimol/L: 12.7141 
 
 Surface and Volume Properties
  Accessible surface: 433.496  Positive charged surface: 315.865  Negative charged surface: 117.631  Volume: 213.5
  Hydrophobic surface: 241.458  Hydrophilic surface: 192.038
 
 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.