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ASINEX-ZINC04663948

 MMsINC code: MMs00358519
Type: Neutral
Formula: C19H20N2O
SMILES:   OC(c1ccc(cc1)C)(c1ccccc1)c1nccn1CC
InChI:   InChI=1/C19H20N2O/c1-3-21-14-13-20-18(21)19(22,16-7-5-4-6-8-16)17-11-9-15(2)10-12-17/h4-14,22H,3H2,1-2H3/t19-/m0/s1

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Potential Energy
Epot(MMFF94)=90.5878 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 292.382 g/mol  logS: -3.82288  SlogP: 4.07352  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.35172  Sterimol/B1: 2.40169  Sterimol/B2: 2.52359  Sterimol/B3: 5.92988
  Sterimol/B4: 8.84268  Sterimol/L: 12.6223 
 
 Surface and Volume Properties
  Accessible surface: 535.692  Positive charged surface: 346.188  Negative charged surface: 189.504  Volume: 302.875
  Hydrophobic surface: 487.147  Hydrophilic surface: 48.545
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.