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PUBCHEM-ZINC00353195

 MMsINC code: MMs02661370
Type: Neutral
Formula: C14H14N4
SMILES:   n1n(nc2c1cccc2)-c1ccc(N)c(C)c1C
InChI:   InChI=1/C14H14N4/c1-9-10(2)14(8-7-11(9)15)18-16-12-5-3-4-6-13(12)17-18/h3-8H,15H2,1-2H3

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Potential Energy
Epot(MMFF94)=100.055 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.294 g/mol  logS: -2.91635  SlogP: 2.61954  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0355088  Sterimol/B1: 2.38988  Sterimol/B2: 2.63456  Sterimol/B3: 3.31868
  Sterimol/B4: 5.99459  Sterimol/L: 14.3468 
 
 Surface and Volume Properties
  Accessible surface: 464.188  Positive charged surface: 268.487  Negative charged surface: 195.701  Volume: 234.375
  Hydrophobic surface: 374.393  Hydrophilic surface: 89.795
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.