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PUBCHEM-ZINC05853013

 MMsINC code: MMs03417937
Type: Ionized
Formula: C14H34N4+4
SMILES:   [NH2+](CCC[NH2+]CCC[NH2+]CC)CCC[NH2+]CC#C
InChI:   InChI=1/C14H30N4/c1-3-8-16-10-6-12-18-14-7-13-17-11-5-9-15-4-2/h1,15-18H,4-14H2,2H3/p+4

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Potential Energy
Epot(MMFF94)=37.5721 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.454 g/mol  logS: -0.41191  SlogP: -3.93659  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0119679  Sterimol/B1: 2.38244  Sterimol/B2: 2.39784  Sterimol/B3: 2.97406
  Sterimol/B4: 3.80766  Sterimol/L: 25.1525 
 
 Surface and Volume Properties
  Accessible surface: 655.888  Positive charged surface: 545.35  Negative charged surface: 110.537  Volume: 314.875
  Hydrophobic surface: 468.521  Hydrophilic surface: 187.367
 
 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: 0
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Parent related molecule:


MMs03417936
PUBCHEM-ZINC05853013