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NCID-ZINC01766022

 MMsINC code: MMs02369729
Type: Tautomer
Formula: C14H38N4+4
SMILES:   [NH2+](C(CCC([NH2+]CCC[NH3+])(C)C)(C)C)CCC[NH3+]
InChI:   InChI=1/C14H34N4/c1-13(2,17-11-5-9-15)7-8-14(3,4)18-12-6-10-16/h17-18H,5-12,15-16H2,1-4H3/p+4

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Potential Energy
Epot(MMFF94)=69.0952 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.486 g/mol  logS: -0.5255  SlogP: -2.2854  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0440194  Sterimol/B1: 2.22756  Sterimol/B2: 2.38281  Sterimol/B3: 4.92649
  Sterimol/B4: 5.40522  Sterimol/L: 20.6102 
 
 Surface and Volume Properties
  Accessible surface: 606.786  Positive charged surface: 538.827  Negative charged surface: 67.9587  Volume: 318
  Hydrophobic surface: 346.975  Hydrophilic surface: 259.811
 
 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:


MMs02369728
NCID-ZINC01766022