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APOLLO-ZINC02243794

 MMsINC code: MMs00051367
Type: Neutral
Formula: C8H5F6N
SMILES:   FC(F)(F)c1cccc(C(F)(F)F)c1N
InChI:   InChI=1/C8H5F6N/c9-7(10,11)4-2-1-3-5(6(4)15)8(12,13)14/h1-3H,15H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=57.8799 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.123 g/mol  logS: -3.21886  SlogP: 3.9294  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0643561  Sterimol/B1: 2.56479  Sterimol/B2: 2.63672  Sterimol/B3: 2.63955
  Sterimol/B4: 6.10945  Sterimol/L: 10.1323 
 
 Surface and Volume Properties
  Accessible surface: 342.343  Positive charged surface: 88.8674  Negative charged surface: 253.476  Volume: 155.25
  Hydrophobic surface: 116.87  Hydrophilic surface: 225.473
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 0  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.