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PUBCHEM-ZINC02556394

 MMsINC code: MMs02900472
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)=63.8064 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: 0.135136  Sterimol/B1: 2.82435  Sterimol/B2: 2.89898  Sterimol/B3: 3.47223
  Sterimol/B4: 3.50405  Sterimol/L: 12.1011 
 
 Surface and Volume Properties
  Accessible surface: 349.389  Positive charged surface: 234.162  Negative charged surface: 115.228  Volume: 153.125
  Hydrophobic surface: 105.19  Hydrophilic surface: 244.199
 
 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.