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PUBCHEM-ZINC05162378

 MMsINC code: MMs03217861
Type: Neutral
Formula: C8H5F6N
SMILES:   FC(F)(F)N(C(F)(F)F)c1ccccc1
InChI:   InChI=1/C8H5F6N/c9-7(10,11)15(8(12,13)14)6-4-2-1-3-5-6/h1-5H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=3.43484 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.123 g/mol  logS: -3.59019  SlogP: 4.3724  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0555148  Sterimol/B1: 2.63743  Sterimol/B2: 2.63971  Sterimol/B3: 3.62349
  Sterimol/B4: 3.62397  Sterimol/L: 10.3331 
 
 Surface and Volume Properties
  Accessible surface: 344.755  Positive charged surface: 94.0783  Negative charged surface: 250.676  Volume: 157.125
  Hydrophobic surface: 166.202  Hydrophilic surface: 178.553
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.