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NCID-ZINC01646443

 MMsINC code: MMs02287095
Type: Neutral
Formula: C19H40N2+2
SMILES:   [N+]1(CCCCCCC1)(CCC[N+]1(CCCCCCC1)C)C
InChI:   InChI=1/C19H40N2/c1-20(14-9-5-3-6-10-15-20)18-13-19-21(2)16-11-7-4-8-12-17-21/h3-19H2,1-2H3/q+2

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Potential Energy
Epot(MMFF94)=193.98 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 296.543 g/mol  logS: -2.26961  SlogP: 4.1979  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142012  Sterimol/B1: 2.31845  Sterimol/B2: 3.90399  Sterimol/B3: 4.51478
  Sterimol/B4: 6.31125  Sterimol/L: 14.4696 
 
 Surface and Volume Properties
  Accessible surface: 548.73  Positive charged surface: 473.111  Negative charged surface: 75.6186  Volume: 339.5
  Hydrophobic surface: 502.746  Hydrophilic surface: 45.984
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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.