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CHEMSTAR-ZINC04181469

 MMsINC code: MMs01110718
Type: Neutral
Formula: C24H18N2O2
SMILES:   Oc1ccc2c(cccc2)c1\C=N\c1ccc(NC(=O)c2ccccc2)cc1
InChI:   InChI=1/C24H18N2O2/c27-23-15-10-17-6-4-5-9-21(17)22(23)16-25-19-11-13-20(14-12-19)26-24(28)18-7-2-1-3-8-18/h1-16,27H,(H,26,28)/b25-16+

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Potential Energy
Epot(MMFF94)=120.87 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.42 g/mol  logS: -6.79554  SlogP: 5.5483  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0276352  Sterimol/B1: 3.38496  Sterimol/B2: 3.81346  Sterimol/B3: 4.44098
  Sterimol/B4: 5.50084  Sterimol/L: 20.8399 
 
 Surface and Volume Properties
  Accessible surface: 644.664  Positive charged surface: 347.452  Negative charged surface: 286.423  Volume: 359.375
  Hydrophobic surface: 558.83  Hydrophilic surface: 85.834
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.