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PUBCHEM-ZINC04977310

 MMsINC code: MMs03187143
Type: Ionized
Formula: C16H46N6+6
SMILES:   [NH+](CCCC[NH+](CCC[NH3+])CCC[NH3+])(CCC[NH3+])CCC[NH3+]
InChI:   InChI=1/C16H40N6/c17-7-3-13-21(14-4-8-18)11-1-2-12-22(15-5-9-19)16-6-10-20/h1-20H2/p+6

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Potential Energy
Epot(MMFF94)=92.0108 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 322.586 g/mol  logS: 0.78396  SlogP: -5.9356  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.240915  Sterimol/B1: 4.40954  Sterimol/B2: 4.95041  Sterimol/B3: 5.50231
  Sterimol/B4: 6.09281  Sterimol/L: 16.5046 
 
 Surface and Volume Properties
  Accessible surface: 760.289  Positive charged surface: 741.693  Negative charged surface: 18.596  Volume: 385.125
  Hydrophobic surface: 407.426  Hydrophilic surface: 352.863
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 6
  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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Parent related molecule:


MMs03187142
PUBCHEM-ZINC04977310