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PUBCHEM-ZINC05515525

 MMsINC code: MMs03294628
Type: Neutral
Formula: C19H15N3O2
SMILES:   o1cccc1\C=N\C(=N/NC(=O)c1ccccc1)\c1ccccc1
InChI:   InChI=1/C19H15N3O2/c23-19(16-10-5-2-6-11-16)22-21-18(15-8-3-1-4-9-15)20-14-17-12-7-13-24-17/h1-14H,(H,22,23)/b20-14+,21-18-

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Potential Energy
Epot(MMFF94)=94.5428 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.348 g/mol  logS: -5.5397  SlogP: 3.4903  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0308761  Sterimol/B1: 2.65905  Sterimol/B2: 3.91538  Sterimol/B3: 4.44111
  Sterimol/B4: 8.2025  Sterimol/L: 16.4379 
 
 Surface and Volume Properties
  Accessible surface: 591.071  Positive charged surface: 293.403  Negative charged surface: 297.668  Volume: 309.625
  Hydrophobic surface: 515.493  Hydrophilic surface: 75.578
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.