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NCID-ZINC01574869

 MMsINC code: MMs02233872
Type: Neutral
Formula: C18H15NO2
SMILES:   O1C(=N\C(=C(/C)\c2ccc(cc2)C)\C1=O)c1ccccc1
InChI:   InChI=1/C18H15NO2/c1-12-8-10-14(11-9-12)13(2)16-18(20)21-17(19-16)15-6-4-3-5-7-15/h3-11H,1-2H3/b16-13-

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Potential Energy
Epot(MMFF94)=79.0574 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.323 g/mol  logS: -5.54788  SlogP: 3.72962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.050993  Sterimol/B1: 2.29353  Sterimol/B2: 3.35467  Sterimol/B3: 3.47606
  Sterimol/B4: 8.53377  Sterimol/L: 15.0946 
 
 Surface and Volume Properties
  Accessible surface: 531.302  Positive charged surface: 303.073  Negative charged surface: 228.229  Volume: 277.625
  Hydrophobic surface: 461.606  Hydrophilic surface: 69.696
 
 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.