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ENAMINE-ZINC06315800

 MMsINC code: MMs01661398
Type: Neutral
Formula: C15H14N4
SMILES:   [nH]1nc(Nc2ccccc2N)cc1-c1ccccc1
InChI:   InChI=1/C15H14N4/c16-12-8-4-5-9-13(12)17-15-10-14(18-19-15)11-6-2-1-3-7-11/h1-10H,16H2,(H2,17,18,19)

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Potential Energy
Epot(MMFF94)=84.3537 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.305 g/mol  logS: -3.86856  SlogP: 3.4025  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00111711  Sterimol/B1: 2.22594  Sterimol/B2: 2.24218  Sterimol/B3: 3.99736
  Sterimol/B4: 4.66772  Sterimol/L: 16.2325 
 
 Surface and Volume Properties
  Accessible surface: 485.709  Positive charged surface: 283.595  Negative charged surface: 202.114  Volume: 247.375
  Hydrophobic surface: 365.658  Hydrophilic surface: 120.051
 
 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.