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PUBCHEM-ZINC06438442

 MMsINC code: MMs03728924
Type: Neutral
Formula: C9H9F3N4
SMILES:   FC(F)(F)c1ccccc1\C=N\N=C(N)N
InChI:   InChI=1/C9H9F3N4/c10-9(11,12)7-4-2-1-3-6(7)5-15-16-8(13)14/h1-5H,(H4,13,14,16)/b15-5+

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Potential Energy
Epot(MMFF94)=32.0808 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.193 g/mol  logS: -2.97477  SlogP: 1.6242  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0115869  Sterimol/B1: 2.63714  Sterimol/B2: 2.63898  Sterimol/B3: 3.12042
  Sterimol/B4: 5.38363  Sterimol/L: 12.9978 
 
 Surface and Volume Properties
  Accessible surface: 396.053  Positive charged surface: 214.558  Negative charged surface: 181.495  Volume: 187.875
  Hydrophobic surface: 175.53  Hydrophilic surface: 220.523
 
 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.