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PUBCHEM-ZINC06091087

 MMsINC code: MMs03537059
Type: Neutral
Formula: C6H4F2O2
SMILES:   Fc1cc(O)c(O)cc1F
InChI:   InChI=1/C6H4F2O2/c7-3-1-5(9)6(10)2-4(3)8/h1-2,9-10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.9965 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.092 g/mol  logS: -1.25094  SlogP: 1.376  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.022094  Sterimol/B1: 2.21899  Sterimol/B2: 2.22043  Sterimol/B3: 2.56489
  Sterimol/B4: 5.33822  Sterimol/L: 7.9968 
 
 Surface and Volume Properties
  Accessible surface: 285.201  Positive charged surface: 140.431  Negative charged surface: 144.769  Volume: 112.625
  Hydrophobic surface: 186.917  Hydrophilic surface: 98.284
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.