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NCID-ZINC05004965

 MMsINC code: MMs02427202
Type: Neutral
Formula: C23H18N2O2
SMILES:   O=C(C1C(NN=C1C(=O)c1ccccc1)c1ccccc1)c1ccccc1
InChI:   InChI=1/C23H18N2O2/c26-22(17-12-6-2-7-13-17)19-20(16-10-4-1-5-11-16)24-25-21(19)23(27)18-14-8-3-9-15-18/h1-15,19-20,24H/t19-,20+/m1/s1

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Potential Energy
Epot(MMFF94)=131.494 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 354.409 g/mol  logS: -5.58567  SlogP: 4.1644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.107143  Sterimol/B1: 2.17513  Sterimol/B2: 2.79055  Sterimol/B3: 5.06011
  Sterimol/B4: 7.53442  Sterimol/L: 15.9393 
 
 Surface and Volume Properties
  Accessible surface: 582.986  Positive charged surface: 331.188  Negative charged surface: 251.798  Volume: 343.125
  Hydrophobic surface: 503.25  Hydrophilic surface: 79.736
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.