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ENAMINE-ZINC03239151

 MMsINC code: MMs01323703
Type: Neutral
Formula: C20H22N2
SMILES:   N(N=C(c1ccccc1)c1ccccc1)C=1CCCCCC=1
InChI:   InChI=1/C20H22N2/c1-2-10-16-19(15-9-1)21-22-20(17-11-5-3-6-12-17)18-13-7-4-8-14-18/h3-8,11-15,21H,1-2,9-10,16H2

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Potential Energy
Epot(MMFF94)=97.3903 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.41 g/mol  logS: -4.96601  SlogP: 4.8766  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0534599  Sterimol/B1: 2.75665  Sterimol/B2: 2.97267  Sterimol/B3: 3.53154
  Sterimol/B4: 9.49427  Sterimol/L: 14.5469 
 
 Surface and Volume Properties
  Accessible surface: 559.08  Positive charged surface: 344.976  Negative charged surface: 214.104  Volume: 310.125
  Hydrophobic surface: 531.724  Hydrophilic surface: 27.356
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.