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PUBCHEM-ZINC05424517

 MMsINC code: MMs03266030
Type: Ionized
Formula: C24H54N4+4
SMILES:   [N+]1(CC[NH+](CC1)CCCCCCCCCC[NH+]1CC[N+](CC1)(CC)C)(CC)C
InChI:   InChI=1/C24H52N4/c1-5-27(3)21-17-25(18-22-27)15-13-11-9-7-8-10-12-14-16-26-19-23-28(4,6-2)24-20-26/h5-24H2,1-4H3/q+2/p+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=170.461 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 398.724 g/mol  logS: -2.69262  SlogP: 0.8372  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0178293  Sterimol/B1: 2.22753  Sterimol/B2: 2.82686  Sterimol/B3: 4.24777
  Sterimol/B4: 5.49325  Sterimol/L: 28.0685 
 
 Surface and Volume Properties
  Accessible surface: 837.241  Positive charged surface: 772.372  Negative charged surface: 64.869  Volume: 481.125
  Hydrophobic surface: 692.316  Hydrophilic surface: 144.925
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 4
  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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Parent related molecule:


MMs03266029
PUBCHEM-ZINC05424517