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ASINEX-ZINC00282133

 MMsINC code: MMs00107566
Type: Neutral
Formula: C18H14N2O2
SMILES:   Oc1ccccc1\C=N\NC(=O)c1c2c(ccc1)cccc2
InChI:   InChI=1/C18H14N2O2/c21-17-11-4-2-7-14(17)12-19-20-18(22)16-10-5-8-13-6-1-3-9-15(13)16/h1-12,21H,(H,20,22)/b19-12+

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Potential Energy
Epot(MMFF94)=114.167 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.322 g/mol  logS: -5.05408  SlogP: 3.3093  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00103843  Sterimol/B1: 2.12575  Sterimol/B2: 2.28737  Sterimol/B3: 3.16358
  Sterimol/B4: 6.89309  Sterimol/L: 17.2037 
 
 Surface and Volume Properties
  Accessible surface: 537.887  Positive charged surface: 297.276  Negative charged surface: 229.539  Volume: 280.375
  Hydrophobic surface: 442.192  Hydrophilic surface: 95.695
 
 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.