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PUBCHEM-ZINC06068077

 MMsINC code: MMs03521033
Type: Neutral
Formula: C22H50N2+2
SMILES:   [N+](CCCCCCCCCCCCCCCC[N+](C)(C)C)(C)(C)C
InChI:   InChI=1/C22H50N2/c1-23(2,3)21-19-17-15-13-11-9-7-8-10-12-14-16-18-20-22-24(4,5)6/h7-22H2,1-6H3/q+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.9189 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.656 g/mol  logS: -5.08484  SlogP: 5.8602  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0132692  Sterimol/B1: 2.14517  Sterimol/B2: 2.37549  Sterimol/B3: 3.90736
  Sterimol/B4: 4.77412  Sterimol/L: 28.2838 
 
 Surface and Volume Properties
  Accessible surface: 795.715  Positive charged surface: 745.035  Negative charged surface: 50.6801  Volume: 427.75
  Hydrophobic surface: 681.999  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.