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PUBCHEM-ZINC05483141

 MMsINC code: MMs03282365
Type: Neutral
Formula: C19H15FN4
SMILES:   Fc1ccc(cc1)/C(=N/Nc1ccccc1)/N=Nc1ccccc1
InChI:   InChI=1/C19H15FN4/c20-16-13-11-15(12-14-16)19(23-21-17-7-3-1-4-8-17)24-22-18-9-5-2-6-10-18/h1-14,21H/b23-19-,24-22+

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Potential Energy
Epot(MMFF94)=109.529 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.355 g/mol  logS: -5.51993  SlogP: 5.3833  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0113159  Sterimol/B1: 2.67529  Sterimol/B2: 2.68004  Sterimol/B3: 4.90977
  Sterimol/B4: 8.62252  Sterimol/L: 16.227 
 
 Surface and Volume Properties
  Accessible surface: 591.591  Positive charged surface: 294.67  Negative charged surface: 296.921  Volume: 306.875
  Hydrophobic surface: 563.54  Hydrophilic surface: 28.051
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.