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ALFAAESAR-ZINC02584330

 MMsINC code: MMs00024159
Type: Neutral
Formula: C6H3F3O
SMILES:   Fc1c(F)cc(O)cc1F
InChI:   InChI=1/C6H3F3O/c7-4-1-3(10)2-5(8)6(4)9/h1-2,10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.2926 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 148.083 g/mol  logS: -1.90787  SlogP: 1.8095  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0144883  Sterimol/B1: 2.14532  Sterimol/B2: 2.24529  Sterimol/B3: 2.66489
  Sterimol/B4: 5.06721  Sterimol/L: 8.74201 
 
 Surface and Volume Properties
  Accessible surface: 277.98  Positive charged surface: 116.549  Negative charged surface: 161.431  Volume: 106.375
  Hydrophobic surface: 225.977  Hydrophilic surface: 52.003
 
 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.