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IBS-ZINC06759830

 MMsINC code: MMs01970184
Type: Neutral
Formula: C8H10FN6+
SMILES:   Fc1ccc(cc1)CN[NH+]1N=NN=C1N
InChI:   InChI=1/C8H9FN6/c9-7-3-1-6(2-4-7)5-11-15-8(10)12-13-14-15/h1-4,11H,5H2,(H2,10,12,14)/p+1

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Potential Energy
Epot(MMFF94)=51.708 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 209.208 g/mol  logS: -1.84698  SlogP: -0.4079  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0682408  Sterimol/B1: 2.50099  Sterimol/B2: 3.00525  Sterimol/B3: 3.07442
  Sterimol/B4: 5.06214  Sterimol/L: 12.6271 
 
 Surface and Volume Properties
  Accessible surface: 397.41  Positive charged surface: 224.913  Negative charged surface: 140.539  Volume: 182.5
  Hydrophobic surface: 266.531  Hydrophilic surface: 130.879
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 1
  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.