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NCID-ZINC05812244

 MMsINC code: MMs02501414
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-/m0/s1

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Potential Energy
Epot(MMFF94)=45.1938 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: 0.132315  Sterimol/B1: 3.3656  Sterimol/B2: 4.09317  Sterimol/B3: 4.58252
  Sterimol/B4: 4.89355  Sterimol/L: 12.6964 
 
 Surface and Volume Properties
  Accessible surface: 417.389  Positive charged surface: 286.446  Negative charged surface: 130.943  Volume: 200.875
  Hydrophobic surface: 282.9  Hydrophilic surface: 134.489
 
 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.