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PUBCHEM-ZINC05424211

 MMsINC code: MMs03265778
Type: Ionized
Formula: C26H60N4+4
SMILES:   [N+](CCCCC)(CC[NH+]1CC[NH+](CC1)CC[N+](CCCCC)(CC)CC)(CC)CC
InChI:   InChI=1/C26H58N4/c1-7-13-15-23-29(9-3,10-4)25-21-27-17-19-28(20-18-27)22-26-30(11-5,12-6)24-16-14-8-2/h7-26H2,1-6H3/q+2/p+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=202.891 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 428.794 g/mol  logS: -3.44908  SlogP: 1.8634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0475536  Sterimol/B1: 2.40742  Sterimol/B2: 4.27354  Sterimol/B3: 6.15213
  Sterimol/B4: 8.47554  Sterimol/L: 25.5945 
 
 Surface and Volume Properties
  Accessible surface: 875.281  Positive charged surface: 738.205  Negative charged surface: 137.076  Volume: 531
  Hydrophobic surface: 690.742  Hydrophilic surface: 184.539
 
 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:


MMs03265777
PUBCHEM-ZINC05424211