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NCID-ZINC04786913

 MMsINC code: MMs02406134
Type: Neutral
Formula: C19H16N2
SMILES:   N(N=C(c1ccccc1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C19H16N2/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)21-20-18-14-8-3-9-15-18/h1-15,20H

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Potential Energy
Epot(MMFF94)=107.746 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.351 g/mol  logS: -5.07361  SlogP: 4.5511  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0291502  Sterimol/B1: 2.54857  Sterimol/B2: 2.83735  Sterimol/B3: 2.86247
  Sterimol/B4: 9.91652  Sterimol/L: 14.678 
 
 Surface and Volume Properties
  Accessible surface: 526.983  Positive charged surface: 284.019  Negative charged surface: 242.964  Volume: 283.75
  Hydrophobic surface: 512.431  Hydrophilic surface: 14.552
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.