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NCID-ZINC01617314

 MMsINC code: MMs02266525
Type: Neutral
Formula: C8H16O6S
SMILES:   S(OC1CCC(OC1CO)OC)(=O)(=O)C
InChI:   InChI=1/C8H16O6S/c1-12-8-4-3-6(7(5-9)13-8)14-15(2,10)11/h6-9H,3-5H2,1-2H3/t6-,7+,8+/m1/s1

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Potential Energy
Epot(MMFF94)=47.5995 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.276 g/mol  logS: -0.47212  SlogP: -0.525  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0824791  Sterimol/B1: 3.0158  Sterimol/B2: 3.19059  Sterimol/B3: 3.66142
  Sterimol/B4: 6.12994  Sterimol/L: 12.7607 
 
 Surface and Volume Properties
  Accessible surface: 424.932  Positive charged surface: 292.701  Negative charged surface: 132.231  Volume: 203.5
  Hydrophobic surface: 285.671  Hydrophilic surface: 139.261
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.