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APOLLO-ZINC02243185

 MMsINC code: MMs00051144
Type: Neutral
Formula: C7H6F4N2
SMILES:   Fc1cc(C(F)(F)F)c(N)c(N)c1
InChI:   InChI=1/C7H6F4N2/c8-3-1-4(7(9,10)11)6(13)5(12)2-3/h1-2H,12-13H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.1579 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 194.131 g/mol  logS: -2.17817  SlogP: 2.3204  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0368006  Sterimol/B1: 2.63751  Sterimol/B2: 2.63863  Sterimol/B3: 3.33044
  Sterimol/B4: 5.56881  Sterimol/L: 9.48999 
 
 Surface and Volume Properties
  Accessible surface: 323.065  Positive charged surface: 133.561  Negative charged surface: 189.503  Volume: 142.125
  Hydrophobic surface: 134.373  Hydrophilic surface: 188.692
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.