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ASINEX-ZINC04413625

 MMsINC code: MMs00334402
Type: Neutral
Formula: C8H6FN6-
SMILES:   Fc1ccccc1\C=N\Nc1nnn[n-]1
InChI:   InChI=1/C8H6FN6/c9-7-4-2-1-3-6(7)5-10-11-8-12-14-15-13-8/h1-5H,(H-,11,12,13,14,15)/q-1/b10-5+

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Potential Energy
Epot(MMFF94)=37.7466 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.176 g/mol  logS: -1.8786  SlogP: 0.4139  Reactive groups: 0
 
 Topological Properties
  Globularity: 7.01078e-09  Sterimol/B1: 2.09716  Sterimol/B2: 2.09752  Sterimol/B3: 2.97747
  Sterimol/B4: 4.84848  Sterimol/L: 14.2274 
 
 Surface and Volume Properties
  Accessible surface: 392.729  Positive charged surface: 165.732  Negative charged surface: 226.997  Volume: 173
  Hydrophobic surface: 212.501  Hydrophilic surface: 180.228
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 4  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


MMs00334403
ASINEX-ZINC04413625