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PUBCHEM-ZINC06059625

 MMsINC code: MMs03517780
Type: Neutral
Formula: C10H9F3N6
SMILES:   FC(F)(F)c1ccccc1N=Nc1c(n[nH]c1N)N
InChI:   InChI=1/C10H9F3N6/c11-10(12,13)5-3-1-2-4-6(5)16-17-7-8(14)18-19-9(7)15/h1-4H,(H5,14,15,18,19)/b17-16+

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Potential Energy
Epot(MMFF94)=61.035 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.218 g/mol  logS: -2.83455  SlogP: 3.3198  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0101428  Sterimol/B1: 2.63284  Sterimol/B2: 2.64429  Sterimol/B3: 3.40757
  Sterimol/B4: 5.98758  Sterimol/L: 13.0517 
 
 Surface and Volume Properties
  Accessible surface: 437.015  Positive charged surface: 213.188  Negative charged surface: 223.827  Volume: 213.125
  Hydrophobic surface: 182.792  Hydrophilic surface: 254.223
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.