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NCID-ZINC05103507

 MMsINC code: MMs02439910
Type: Tautomer
Formula: C14H38N4+4
SMILES:   [NH+](CCC[NH2+]CCCC[NH2+]CCC[NH+](C)C)(C)C
InChI:   InChI=1/C14H34N4/c1-17(2)13-7-11-15-9-5-6-10-16-12-8-14-18(3)4/h15-16H,5-14H2,1-4H3/p+4

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Potential Energy
Epot(MMFF94)=54.8301 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.486 g/mol  logS: 0.37028  SlogP: -4.0374  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0184162  Sterimol/B1: 2.17221  Sterimol/B2: 2.32083  Sterimol/B3: 4.08914
  Sterimol/B4: 4.26134  Sterimol/L: 23.3357 
 
 Surface and Volume Properties
  Accessible surface: 651.297  Positive charged surface: 640.063  Negative charged surface: 11.2337  Volume: 322.375
  Hydrophobic surface: 468.483  Hydrophilic surface: 182.814
 
 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:


MMs02439909
NCID-ZINC05103507