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NANOSIN-ZINC04644708

 MMsINC code: MMs02208506
Type: Neutral
Formula: C19H15NO2
SMILES:   O1C(=N\C(=C/C(=C\c2ccccc2)/C)\C1=O)c1ccccc1
InChI:   InChI=1/C19H15NO2/c1-14(12-15-8-4-2-5-9-15)13-17-19(21)22-18(20-17)16-10-6-3-7-11-16/h2-13H,1H3/b14-12+,17-13-

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Potential Energy
Epot(MMFF94)=100.258 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.334 g/mol  logS: -6.20668  SlogP: 3.9774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0150692  Sterimol/B1: 2.24682  Sterimol/B2: 3.17752  Sterimol/B3: 4.73879
  Sterimol/B4: 6.16635  Sterimol/L: 16.8421 
 
 Surface and Volume Properties
  Accessible surface: 535.329  Positive charged surface: 284.977  Negative charged surface: 250.352  Volume: 287.75
  Hydrophobic surface: 456.379  Hydrophilic surface: 78.95
 
 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.