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NCID-ZINC04759316

 MMsINC code: MMs02401323
Type: Neutral
Formula: C15H16N2
SMILES:   N(/Nc1ccccc1)=C(\C)/c1ccc(cc1)C
InChI:   InChI=1/C15H16N2/c1-12-8-10-14(11-9-12)13(2)16-17-15-6-4-3-5-7-15/h3-11,17H,1-2H3/b16-13+

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Potential Energy
Epot(MMFF94)=74.8981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.307 g/mol  logS: -3.78699  SlogP: 3.83112  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00655212  Sterimol/B1: 2.10245  Sterimol/B2: 2.51247  Sterimol/B3: 3.25992
  Sterimol/B4: 5.89873  Sterimol/L: 15.7342 
 
 Surface and Volume Properties
  Accessible surface: 483.102  Positive charged surface: 270.92  Negative charged surface: 212.182  Volume: 243.5
  Hydrophobic surface: 462.067  Hydrophilic surface: 21.035
 
 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.