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PUBCHEM-ZINC03861426

 MMsINC code: MMs03078072
Type: Neutral
Formula: C6H2F4O
SMILES:   Fc1c(O)c(F)cc(F)c1F
InChI:   InChI=1/C6H2F4O/c7-2-1-3(8)6(11)5(10)4(2)9/h1,11H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.4681 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.073 g/mol  logS: -2.20285  SlogP: 1.9486  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0145942  Sterimol/B1: 2.14455  Sterimol/B2: 2.24255  Sterimol/B3: 2.5295
  Sterimol/B4: 5.1968  Sterimol/L: 8.73216 
 
 Surface and Volume Properties
  Accessible surface: 282.044  Positive charged surface: 108.728  Negative charged surface: 173.316  Volume: 109.375
  Hydrophobic surface: 232.336  Hydrophilic surface: 49.708
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.