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NCID-ZINC01561424

 MMsINC code: MMs02223585
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-/m0/s1

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Potential Energy
Epot(MMFF94)=65.3116 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: 0.112301  Sterimol/B1: 2.21395  Sterimol/B2: 3.04726  Sterimol/B3: 3.45507
  Sterimol/B4: 6.92857  Sterimol/L: 12.7659 
 
 Surface and Volume Properties
  Accessible surface: 429.794  Positive charged surface: 301.689  Negative charged surface: 128.105  Volume: 208.75
  Hydrophobic surface: 260.759  Hydrophilic surface: 169.035
 
 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.