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ASINEX-ZINC00309649

 MMsINC code: MMs00115785
Type: Neutral
Formula: C14H14N4
SMILES:   n1n(nc2c1cc(N)cc2)-c1ccc(cc1C)C
InChI:   InChI=1/C14H14N4/c1-9-3-6-14(10(2)7-9)18-16-12-5-4-11(15)8-13(12)17-18/h3-8H,15H2,1-2H3

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Potential Energy
Epot(MMFF94)=89.7106 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.294 g/mol  logS: -3.2298  SlogP: 2.61954  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0314598  Sterimol/B1: 2.79599  Sterimol/B2: 2.96698  Sterimol/B3: 3.4071
  Sterimol/B4: 4.7486  Sterimol/L: 15.417 
 
 Surface and Volume Properties
  Accessible surface: 471.526  Positive charged surface: 282.224  Negative charged surface: 189.302  Volume: 237.75
  Hydrophobic surface: 372.738  Hydrophilic surface: 98.788
 
 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.