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ENAMINE-ZINC03194223

 MMsINC code: MMs01302352
Type: Neutral
Formula: C15H14N4
SMILES:   [nH]1nc(Nc2ccccc2)cc1Nc1ccccc1
InChI:   InChI=1/C15H14N4/c1-3-7-12(8-4-1)16-14-11-15(19-18-14)17-13-9-5-2-6-10-13/h1-11H,(H3,16,17,18,19)

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Potential Energy
Epot(MMFF94)=74.0335 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.305 g/mol  logS: -3.68408  SlogP: 3.8969  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0413202  Sterimol/B1: 2.60706  Sterimol/B2: 2.66193  Sterimol/B3: 3.77023
  Sterimol/B4: 5.63441  Sterimol/L: 16.2468 
 
 Surface and Volume Properties
  Accessible surface: 494.91  Positive charged surface: 286.962  Negative charged surface: 207.948  Volume: 249.5
  Hydrophobic surface: 413.603  Hydrophilic surface: 81.307
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 2  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.