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PUBCHEM-ZINC05410621

 MMsINC code: MMs03260276
Type: Ionized
Formula: C13H38N5+5
SMILES:   [NH2+](CCCC[NH3+])CCC[NH2+]CCC[NH2+]CCC[NH3+]
InChI:   InChI=1/C13H33N5/c14-6-1-2-8-16-10-4-12-18-13-5-11-17-9-3-7-15/h16-18H,1-15H2/p+5

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=54.7161 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.482 g/mol  logS: 0.83902  SlogP: -4.8891  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0108965  Sterimol/B1: 2.38406  Sterimol/B2: 2.38417  Sterimol/B3: 2.74725
  Sterimol/B4: 3.13754  Sterimol/L: 25.4075 
 
 Surface and Volume Properties
  Accessible surface: 668.431  Positive charged surface: 648.25  Negative charged surface: 20.1812  Volume: 315.875
  Hydrophobic surface: 400.296  Hydrophilic surface: 268.135
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 5
  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: 0
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Parent related molecule:


MMs03260275
PUBCHEM-ZINC05410621