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PUBCHEM-ZINC01607237

 MMsINC code: MMs02815996
Type: Neutral
Formula: C6H3F3N4O
SMILES:   FC(F)(F)c1[nH]c2C=NC(=O)Nc2n1
InChI:   InChI=1/C6H3F3N4O/c7-6(8,9)4-11-2-1-10-5(14)13-3(2)12-4/h1H,(H2,10,11,12,13,14)

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Potential Energy
Epot(MMFF94)=5.03569 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 204.111 g/mol  logS: -1.84942  SlogP: 1.7044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0270788  Sterimol/B1: 2.42721  Sterimol/B2: 2.5638  Sterimol/B3: 2.77167
  Sterimol/B4: 4.99705  Sterimol/L: 10.862 
 
 Surface and Volume Properties
  Accessible surface: 331.583  Positive charged surface: 145.66  Negative charged surface: 185.924  Volume: 138.25
  Hydrophobic surface: 31.8182  Hydrophilic surface: 299.7648
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.