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CHEMBLOCK-ZINC04402391

 MMsINC code: MMs00550442
Type: Neutral
Formula: C10H9F3N6
SMILES:   FC(F)(F)c1cc(N=Nc2c(n[nH]c2N)N)ccc1
InChI:   InChI=1/C10H9F3N6/c11-10(12,13)5-2-1-3-6(4-5)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)=66.3216 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: 0.00801363  Sterimol/B1: 2.55602  Sterimol/B2: 2.62951  Sterimol/B3: 2.64662
  Sterimol/B4: 6.91257  Sterimol/L: 14.2461 
 
 Surface and Volume Properties
  Accessible surface: 452.042  Positive charged surface: 213.801  Negative charged surface: 238.24  Volume: 213.875
  Hydrophobic surface: 166.766  Hydrophilic surface: 285.276
 
 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.