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PUBCHEM-ZINC05600863

 MMsINC code: MMs03320498
Type: Neutral
Formula: C19H15N3O
SMILES:   Oc1ccc(cc1)\C=N\c1ccc(N=Nc2ccccc2)cc1
InChI:   InChI=1/C19H15N3O/c23-19-12-6-15(7-13-19)14-20-16-8-10-18(11-9-16)22-21-17-4-2-1-3-5-17/h1-14,23H/b20-14+,22-21+

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Potential Energy
Epot(MMFF94)=78.4882 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.349 g/mol  logS: -4.84047  SlogP: 5.5582  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0101511  Sterimol/B1: 2.69971  Sterimol/B2: 2.79293  Sterimol/B3: 3.55506
  Sterimol/B4: 4.66241  Sterimol/L: 20.8905 
 
 Surface and Volume Properties
  Accessible surface: 593.844  Positive charged surface: 325.442  Negative charged surface: 268.402  Volume: 298.875
  Hydrophobic surface: 525.7  Hydrophilic surface: 68.144
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.