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NCID-ZINC01596582

 MMsINC code: MMs02250534
Type: Neutral
Formula: C17H19N2O2+
SMILES:   O=C1c2c(cccc2)C(=O)c2[n+](C)c(n(c12)CC(C)C)C
InChI:   InChI=1/C17H19N2O2/c1-10(2)9-19-11(3)18(4)14-15(19)17(21)13-8-6-5-7-12(13)16(14)20/h5-8,10H,9H2,1-4H3/q+1

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Potential Energy
Epot(MMFF94)=76.7707 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 283.351 g/mol  logS: -3.28173  SlogP: 2.67802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0619253  Sterimol/B1: 2.6265  Sterimol/B2: 3.473  Sterimol/B3: 3.87004
  Sterimol/B4: 6.86667  Sterimol/L: 13.8799 
 
 Surface and Volume Properties
  Accessible surface: 501.983  Positive charged surface: 340.026  Negative charged surface: 161.958  Volume: 280.875
  Hydrophobic surface: 373.455  Hydrophilic surface: 128.528
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 2
  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.