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ASINEX-ZINC00296585

 MMsINC code: MMs00112325
Type: Neutral
Formula: C22H15NO2
SMILES:   O1C(=N\C(=C\C=C\c2ccccc2)\C1=O)c1cc2c(cc1)cccc2
InChI:   InChI=1/C22H15NO2/c24-22-20(12-6-9-16-7-2-1-3-8-16)23-21(25-22)19-14-13-17-10-4-5-11-18(17)15-19/h1-15H/b9-6+,20-12+

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Potential Energy
Epot(MMFF94)=96.9738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.367 g/mol  logS: -7.75416  SlogP: 4.7405  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.41616e-07  Sterimol/B1: 2.097  Sterimol/B2: 2.10337  Sterimol/B3: 3.25478
  Sterimol/B4: 5.26804  Sterimol/L: 20.8134 
 
 Surface and Volume Properties
  Accessible surface: 607.605  Positive charged surface: 299.776  Negative charged surface: 297.684  Volume: 320.5
  Hydrophobic surface: 531.452  Hydrophilic surface: 76.153
 
 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.