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NCID-ZINC04759319

 MMsINC code: MMs02401326
Type: Neutral
Formula: C14H14N2O
SMILES:   Oc1ccccc1/C(=N/Nc1ccccc1)/C
InChI:   InChI=1/C14H14N2O/c1-11(13-9-5-6-10-14(13)17)15-16-12-7-3-2-4-8-12/h2-10,16-17H,1H3/b15-11-

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Potential Energy
Epot(MMFF94)=78.0021 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.279 g/mol  logS: -2.95112  SlogP: 3.2283  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0913186  Sterimol/B1: 2.09458  Sterimol/B2: 2.89402  Sterimol/B3: 4.35859
  Sterimol/B4: 7.10654  Sterimol/L: 13.3735 
 
 Surface and Volume Properties
  Accessible surface: 465.344  Positive charged surface: 273.281  Negative charged surface: 192.063  Volume: 231.625
  Hydrophobic surface: 414.185  Hydrophilic surface: 51.159
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.