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ALFAAESAR-ZINC01532339

 MMsINC code: MMs00021267
Type: Neutral
Formula: C16H38N2+2
SMILES:   [N+](CCCCCCCCCC[N+](C)(C)C)(C)(C)C
InChI:   InChI=1/C16H38N2/c1-17(2,3)15-13-11-9-7-8-10-12-14-16-18(4,5)6/h7-16H2,1-6H3/q+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.9653 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.494 g/mol  logS: -1.99352  SlogP: 3.5196  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0301677  Sterimol/B1: 2.21267  Sterimol/B2: 2.3747  Sterimol/B3: 3.88015
  Sterimol/B4: 4.77443  Sterimol/L: 20.7799 
 
 Surface and Volume Properties
  Accessible surface: 612.167  Positive charged surface: 585.126  Negative charged surface: 27.0416  Volume: 319.5
  Hydrophobic surface: 498.451  Hydrophilic surface: 113.716
 
 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.