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NCID-ZINC01561423

 MMsINC code: MMs02223584
Type: Neutral
Formula: C8H16O6S
SMILES:   S(OC1C(OC(OC)CC1O)C)(=O)(=O)C
InChI:   InChI=1/C8H16O6S/c1-5-8(14-15(3,10)11)6(9)4-7(12-2)13-5/h5-9H,4H2,1-3H3/t5-,6-,7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=40.1948 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.276 g/mol  logS: -0.59756  SlogP: -0.5266  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0898946  Sterimol/B1: 2.18882  Sterimol/B2: 2.76545  Sterimol/B3: 3.16522
  Sterimol/B4: 6.96706  Sterimol/L: 12.7795 
 
 Surface and Volume Properties
  Accessible surface: 419.641  Positive charged surface: 293.42  Negative charged surface: 126.222  Volume: 201.375
  Hydrophobic surface: 284.275  Hydrophilic surface: 135.366
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.