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ASINEX-ZINC00292550

 MMsINC code: MMs00111086
Type: Neutral
Formula: C18H16N2O2
SMILES:   O1C(=N\C(=C\c2ccc(N(C)C)cc2)\C1=O)c1ccccc1
InChI:   InChI=1/C18H16N2O2/c1-20(2)15-10-8-13(9-11-15)12-16-18(21)22-17(19-16)14-6-4-3-5-7-14/h3-12H,1-2H3/b16-12+

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Potential Energy
Epot(MMFF94)=104.15 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.338 g/mol  logS: -4.98442  SlogP: 3.0971  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.01676  Sterimol/B1: 2.51211  Sterimol/B2: 3.29183  Sterimol/B3: 3.89265
  Sterimol/B4: 4.3887  Sterimol/L: 18.6411 
 
 Surface and Volume Properties
  Accessible surface: 543.557  Positive charged surface: 356.836  Negative charged surface: 186.721  Volume: 288.75
  Hydrophobic surface: 478.964  Hydrophilic surface: 64.593
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.