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PUBCHEM-ZINC03635630

 MMsINC code: MMs03029634
Type: Neutral
Formula: C16H34N2+2
SMILES:   [N+]1(CCCC1)(CCCCCC[N+]1(CCCC1)C)C
InChI:   InChI=1/C16H34N2/c1-17(13-7-8-14-17)11-5-3-4-6-12-18(2)15-9-10-16-18/h3-16H2,1-2H3/q+2

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Potential Energy
Epot(MMFF94)=75.4605 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.462 g/mol  logS: -1.0374  SlogP: 3.0276  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0519748  Sterimol/B1: 2.38106  Sterimol/B2: 2.63001  Sterimol/B3: 4.25876
  Sterimol/B4: 5.43535  Sterimol/L: 17.3884 
 
 Surface and Volume Properties
  Accessible surface: 557.522  Positive charged surface: 501.554  Negative charged surface: 55.9686  Volume: 300.125
  Hydrophobic surface: 497.298  Hydrophilic surface: 60.224
 
 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.