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ENAMINE-ZINC03360606

 MMsINC code: MMs01395654
Type: Neutral
Formula: C24H24N2O2
SMILES:   O(NC(=C)c1ccccc1)Cc1ccc(cc1)CONC(=C)c1ccccc1
InChI:   InChI=1/C24H24N2O2/c1-19(23-9-5-3-6-10-23)25-27-17-21-13-15-22(16-14-21)18-28-26-20(2)24-11-7-4-8-12-24/h3-16,25-26H,1-2,17-18H2

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Potential Energy
Epot(MMFF94)=129.758 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 372.468 g/mol  logS: -5.67122  SlogP: 5.6036  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.012019  Sterimol/B1: 2.23224  Sterimol/B2: 3.61679  Sterimol/B3: 3.61837
  Sterimol/B4: 6.09909  Sterimol/L: 25.1896 
 
 Surface and Volume Properties
  Accessible surface: 741.709  Positive charged surface: 403.741  Negative charged surface: 337.968  Volume: 388.375
  Hydrophobic surface: 629.533  Hydrophilic surface: 112.176
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1
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Ions/Tautomers related molecules: no related molecules available.