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PUBCHEM-ZINC04116533

 MMsINC code: MMs03092687
Type: Neutral
Formula: C8H6F6N2
SMILES:   FC(F)(F)c1cc(N)c(N)cc1C(F)(F)F
InChI:   InChI=1/C8H6F6N2/c9-7(10,11)3-1-5(15)6(16)2-4(3)8(12,13)14/h1-2H,15-16H2

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Potential Energy
Epot(MMFF94)=70.2625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.138 g/mol  logS: -2.93974  SlogP: 3.5116  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0461931  Sterimol/B1: 2.63758  Sterimol/B2: 2.63889  Sterimol/B3: 2.92693
  Sterimol/B4: 5.70189  Sterimol/L: 9.2939 
 
 Surface and Volume Properties
  Accessible surface: 351.47  Positive charged surface: 129.99  Negative charged surface: 221.48  Volume: 162.25
  Hydrophobic surface: 76.466  Hydrophilic surface: 275.004
 
 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.