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PUBCHEM-ZINC03640980

 MMsINC code: MMs03031240
Type: Neutral
Formula: C6H12O6
SMILES:   OC(C(O)C(O)C=O)C(O)CO
InChI:   InChI=1/C6H12O6/c7-1-3(9)5(11)6(12)4(10)2-8/h1,3-6,8-12H,2H2/t3-,4-,5+,6-/m1/s1

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Potential Energy
Epot(MMFF94)=68.2679 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 180.156 g/mol  logS: 1.38961  SlogP: -3.3788  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.12613  Sterimol/B1: 3.06798  Sterimol/B2: 3.20245  Sterimol/B3: 3.47217
  Sterimol/B4: 3.5075  Sterimol/L: 12.0868 
 
 Surface and Volume Properties
  Accessible surface: 349.188  Positive charged surface: 236.91  Negative charged surface: 112.278  Volume: 153.25
  Hydrophobic surface: 107.854  Hydrophilic surface: 241.334
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  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.