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ENAMINE-ZINC07000368

 MMsINC code: MMs01717902
Type: Neutral
Formula: C23H17NO3
SMILES:   Oc1ccc(cc1)\C=C\1/c2c(cccc2)C(=O)N(C/1=O)c1cc(ccc1)C
InChI:   InChI=1/C23H17NO3/c1-15-5-4-6-17(13-15)24-22(26)20-8-3-2-7-19(20)21(23(24)27)14-16-9-11-18(25)12-10-16/h2-14,25H,1H3/b21-14-

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Potential Energy
Epot(MMFF94)=135.889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 355.393 g/mol  logS: -6.15387  SlogP: 4.42822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124735  Sterimol/B1: 2.12695  Sterimol/B2: 5.72778  Sterimol/B3: 5.91992
  Sterimol/B4: 8.78928  Sterimol/L: 13.5877 
 
 Surface and Volume Properties
  Accessible surface: 605.886  Positive charged surface: 340.694  Negative charged surface: 265.191  Volume: 338.75
  Hydrophobic surface: 519.093  Hydrophilic surface: 86.793
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.