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PUBCHEM-ZINC05469475

 MMsINC code: MMs03278789
Type: Neutral
Formula: C24H50N2+2
SMILES:   [N+]1(CCCCC1)(CCCCCCCCCC[N+]1(CCCCC1)CC)CC
InChI:   InChI=1/C24H50N2/c1-3-25(21-15-11-16-22-25)19-13-9-7-5-6-8-10-14-20-26(4-2)23-17-12-18-24-26/h3-24H2,1-2H3/q+2

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Potential Energy
Epot(MMFF94)=106.875 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.678 g/mol  logS: -4.15624  SlogP: 6.1484  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0280406  Sterimol/B1: 2.22142  Sterimol/B2: 2.83368  Sterimol/B3: 4.53514
  Sterimol/B4: 6.81076  Sterimol/L: 21.8667 
 
 Surface and Volume Properties
  Accessible surface: 743.332  Positive charged surface: 628.971  Negative charged surface: 114.362  Volume: 434.875
  Hydrophobic surface: 675.624  Hydrophilic surface: 67.708
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.