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ALFAAESAR-ZINC02585566

 MMsINC code: MMs00024179
Type: Neutral
Formula: C5HF4N
SMILES:   Fc1c(F)cc(F)nc1F
InChI:   InChI=1/C5HF4N/c6-2-1-3(7)10-5(9)4(2)8/h1H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=9.22983 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 151.062 g/mol  logS: -1.92918  SlogP: 1.638  Reactive groups: 0
 
 Topological Properties
  Globularity: 5.65633e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.09862  Sterimol/B3: 3.45705
  Sterimol/B4: 3.98349  Sterimol/L: 7.882 
 
 Surface and Volume Properties
  Accessible surface: 260.033  Positive charged surface: 82.4891  Negative charged surface: 177.544  Volume: 98.375
  Hydrophobic surface: 208.721  Hydrophilic surface: 51.312
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.