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ACROSORGANICS-ZINC01530357

 MMsINC code: MMs00008915
Type: Neutral
Formula: C6H6O6
SMILES:   Oc1c(O)c(O)c(O)c(O)c1O
InChI:   InChI=1/C6H6O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h7-12H

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Potential Energy
Epot(MMFF94)=67.5575 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.108 g/mol  logS: 0.78682  SlogP: -0.0798  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0473254  Sterimol/B1: 2.09743  Sterimol/B2: 2.50743  Sterimol/B3: 3.84392
  Sterimol/B4: 5.21624  Sterimol/L: 8.30567 
 
 Surface and Volume Properties
  Accessible surface: 327.537  Positive charged surface: 216.713  Negative charged surface: 110.824  Volume: 131.75
  Hydrophobic surface: 49.7388  Hydrophilic surface: 277.7982
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.