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ENAMINE-ZINC06647780

 MMsINC code: MMs01689613
Type: Neutral
Formula: C20H20N2O2
SMILES:   o1nc(CC)c(C(=O)Nc2ccccc2Cc2ccccc2)c1C
InChI:   InChI=1/C20H20N2O2/c1-3-17-19(14(2)24-22-17)20(23)21-18-12-8-7-11-16(18)13-15-9-5-4-6-10-15/h4-12H,3,13H2,1-2H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=92.6946 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 320.392 g/mol  logS: -4.6327  SlogP: 4.38846  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.302474  Sterimol/B1: 2.50812  Sterimol/B2: 3.52435  Sterimol/B3: 6.98702
  Sterimol/B4: 7.53957  Sterimol/L: 13.1216 
 
 Surface and Volume Properties
  Accessible surface: 560.089  Positive charged surface: 312.825  Negative charged surface: 247.264  Volume: 321.5
  Hydrophobic surface: 502.13  Hydrophilic surface: 57.959
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.