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NCID-ZINC04747963

 MMsINC code: MMs02400068
Type: Neutral
Formula: C26H54N2+2
SMILES:   [N+]1(CCCCCCC1)(CCCCCCCCCC[N+]1(CCCCCCC1)C)C
InChI:   InChI=1/C26H54N2/c1-27(23-17-11-7-12-18-24-27)21-15-9-5-3-4-6-10-16-22-28(2)25-19-13-8-14-20-26-28/h3-26H2,1-2H3/q+2

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Potential Energy
Epot(MMFF94)=183.722 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.732 g/mol  logS: -4.9358  SlogP: 6.9286  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0304032  Sterimol/B1: 2.22061  Sterimol/B2: 3.95073  Sterimol/B3: 4.15004
  Sterimol/B4: 6.38819  Sterimol/L: 23.4591 
 
 Surface and Volume Properties
  Accessible surface: 763.096  Positive charged surface: 667.156  Negative charged surface: 95.9407  Volume: 462.375
  Hydrophobic surface: 717.004  Hydrophilic surface: 46.092
 
 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.