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PUBCHEM-ZINC05650950

 MMsINC code: MMs03337240
Type: Neutral
Formula: C14H14N2O2
SMILES:   O(CC)c1ccc(N=Nc2ccc(O)cc2)cc1
InChI:   InChI=1/C14H14N2O2/c1-2-18-14-9-5-12(6-10-14)16-15-11-3-7-13(17)8-4-11/h3-10,17H,2H2,1H3/b16-15+

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Potential Energy
Epot(MMFF94)=61.2821 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.278 g/mol  logS: -3.29332  SlogP: 4.2063  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00596496  Sterimol/B1: 2.37887  Sterimol/B2: 2.39591  Sterimol/B3: 3.39547
  Sterimol/B4: 4.87773  Sterimol/L: 17.5437 
 
 Surface and Volume Properties
  Accessible surface: 502.097  Positive charged surface: 302.795  Negative charged surface: 199.302  Volume: 238.5
  Hydrophobic surface: 420.568  Hydrophilic surface: 81.529
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.