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NCID-ZINC05368850

 MMsINC code: MMs02455104
Type: Neutral
Formula: C6H6O5
SMILES:   Oc1c(O)c(O)cc(O)c1O
InChI:   InChI=1/C6H6O5/c7-2-1-3(8)5(10)6(11)4(2)9/h1,7-11H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.148 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.109 g/mol  logS: 0.42487  SlogP: 0.2146  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.04267  Sterimol/B1: 2.1214  Sterimol/B2: 2.43626  Sterimol/B3: 2.55702
  Sterimol/B4: 5.90381  Sterimol/L: 8.39742 
 
 Surface and Volume Properties
  Accessible surface: 315.683  Positive charged surface: 203.326  Negative charged surface: 112.358  Volume: 124.125
  Hydrophobic surface: 78.3668  Hydrophilic surface: 237.3162
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.