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ENAMINE-ZINC05603466

 MMsINC code: MMs01626826
Type: Neutral
Formula: C24H15NO2
SMILES:   O1C(=N\C(=C\c2c3c(c4c(c2)cccc4)cccc3)\C1=O)c1ccccc1
InChI:   InChI=1/C24H15NO2/c26-24-22(25-23(27-24)16-8-2-1-3-9-16)15-18-14-17-10-4-5-11-19(17)21-13-7-6-12-20(18)21/h1-15H/b22-15-

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Potential Energy
Epot(MMFF94)=127.586 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.389 g/mol  logS: -8.81277  SlogP: 5.3375  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0156303  Sterimol/B1: 2.17089  Sterimol/B2: 3.28264  Sterimol/B3: 4.90017
  Sterimol/B4: 7.46406  Sterimol/L: 16.8302 
 
 Surface and Volume Properties
  Accessible surface: 587.311  Positive charged surface: 278.364  Negative charged surface: 286.71  Volume: 335.75
  Hydrophobic surface: 508.035  Hydrophilic surface: 79.276
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.