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NCID-ZINC05372167

 MMsINC code: MMs02456328
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)=54.3534 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: 0.164351  Sterimol/B1: 1.99772  Sterimol/B2: 2.50199  Sterimol/B3: 4.89916
  Sterimol/B4: 5.99724  Sterimol/L: 12.5707 
 
 Surface and Volume Properties
  Accessible surface: 413.524  Positive charged surface: 268.738  Negative charged surface: 144.786  Volume: 200.375
  Hydrophobic surface: 255.036  Hydrophilic surface: 158.488
 
 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.