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PUBCHEM-ZINC06320991

 MMsINC code: MMs03672530
Type: Neutral
Formula: C8H6F4N2O
SMILES:   Fc1cc(ccc1/C(=N\O)/N)C(F)(F)F
InChI:   InChI=1/C8H6F4N2O/c9-6-3-4(8(10,11)12)1-2-5(6)7(13)14-15/h1-3,15H,(H2,13,14)

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Potential Energy
Epot(MMFF94)=53.3225 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 222.141 g/mol  logS: -2.80375  SlogP: 2.2505  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0163216  Sterimol/B1: 2.15634  Sterimol/B2: 2.50571  Sterimol/B3: 2.81413
  Sterimol/B4: 4.98962  Sterimol/L: 11.6495 
 
 Surface and Volume Properties
  Accessible surface: 362.561  Positive charged surface: 146.71  Negative charged surface: 215.851  Volume: 162.875
  Hydrophobic surface: 132.632  Hydrophilic surface: 229.929
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.