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NCID-ZINC05372173

 MMsINC code: MMs02456331
Type: Neutral
Formula: C8H16O7S
SMILES:   S(OC1C(O)C(O)C(OC1C)OC)(=O)(=O)C
InChI:   InChI=1/C8H16O7S/c1-4-7(15-16(3,11)12)5(9)6(10)8(13-2)14-4/h4-10H,1-3H3/t4-,5-,6+,7-,8-/m1/s1

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Potential Energy
Epot(MMFF94)=73.0038 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.275 g/mol  logS: -0.19325  SlogP: -1.5558  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.1278  Sterimol/B1: 2.36797  Sterimol/B2: 2.92309  Sterimol/B3: 3.70404
  Sterimol/B4: 7.05287  Sterimol/L: 12.5675 
 
 Surface and Volume Properties
  Accessible surface: 425.481  Positive charged surface: 292.381  Negative charged surface: 133.1  Volume: 209.25
  Hydrophobic surface: 247.941  Hydrophilic surface: 177.54
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 7  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.