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PUBCHEM-ZINC05749186

 MMsINC code: MMs03369840
Type: Neutral
Formula: C8H3F6N2+
SMILES:   FC(F)(F)c1cc(cc([N+]#N)c1)C(F)(F)F
InChI:   InChI=1/C8H3F6N2/c9-7(10,11)4-1-5(8(12,13)14)3-6(2-4)16-15/h1-3H/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 241.114 g/mol  logS: -3.5386  SlogP: 4.83178  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0656581  Sterimol/B1: 2.78824  Sterimol/B2: 2.81449  Sterimol/B3: 2.81493
  Sterimol/B4: 7.10303  Sterimol/L: 9.9518 
 
 Surface and Volume Properties
  Accessible surface: 366.283  Positive charged surface: 57.5412  Negative charged surface: 308.742  Volume: 157.5
  Hydrophobic surface: 93.0942  Hydrophilic surface: 273.1888
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 1
  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.