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PUBCHEM-ZINC05131991

 MMsINC code: MMs03206934
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-/m0/s1

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Potential Energy
Epot(MMFF94)=70.1668 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: 0.115554  Sterimol/B1: 3.03379  Sterimol/B2: 3.17175  Sterimol/B3: 3.19651
  Sterimol/B4: 3.72044  Sterimol/L: 12.1529 
 
 Surface and Volume Properties
  Accessible surface: 346.179  Positive charged surface: 233.921  Negative charged surface: 112.258  Volume: 152.75
  Hydrophobic surface: 109.417  Hydrophilic surface: 236.762
 
 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.