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NCID-ZINC01646440

 MMsINC code: MMs02287093
Type: Neutral
Formula: C18H38N2+2
SMILES:   [N+]1(CCCCCC1)(CCCC[N+]1(CCCCCC1)C)C
InChI:   InChI=1/C18H38N2/c1-19(13-7-3-4-8-14-19)17-11-12-18-20(2)15-9-5-6-10-16-20/h3-18H2,1-2H3/q+2

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Potential Energy
Epot(MMFF94)=194.221 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.516 g/mol  logS: -1.44094  SlogP: 3.8078  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0719759  Sterimol/B1: 2.35131  Sterimol/B2: 3.41346  Sterimol/B3: 4.2083
  Sterimol/B4: 4.94831  Sterimol/L: 17.1776 
 
 Surface and Volume Properties
  Accessible surface: 550.865  Positive charged surface: 485.599  Negative charged surface: 65.2656  Volume: 323
  Hydrophobic surface: 503.963  Hydrophilic surface: 46.902
 
 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.