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CHEMBRIDGE-ZINC00126154

 MMsINC code: MMs00589921
Type: Neutral
Formula: C14H12N4
SMILES:   n1nc(NN)c2c(cccc2)c1-c1ccccc1
InChI:   InChI=1/C14H12N4/c15-16-14-12-9-5-4-8-11(12)13(17-18-14)10-6-2-1-3-7-10/h1-9H,15H2,(H,16,18)

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Potential Energy
Epot(MMFF94)=117.308 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.278 g/mol  logS: -4.40469  SlogP: 2.5824  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0390627  Sterimol/B1: 2.8307  Sterimol/B2: 2.85697  Sterimol/B3: 3.95292
  Sterimol/B4: 5.79529  Sterimol/L: 13.7177 
 
 Surface and Volume Properties
  Accessible surface: 453.05  Positive charged surface: 241.18  Negative charged surface: 198.047  Volume: 228.625
  Hydrophobic surface: 317.264  Hydrophilic surface: 135.786
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.