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PUBCHEM-ZINC04521556

 MMsINC code: MMs03127833
Type: Neutral
Formula: C18H42N6
SMILES:   N1(CCN(CCN(CCN(CCN(CCN(CC1)C)C)C)C)C)C
InChI:   InChI=1/C18H42N6/c1-19-7-9-20(2)11-13-22(4)15-17-24(6)18-16-23(5)14-12-21(3)10-8-19/h7-18H2,1-6H3

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Potential Energy
Epot(MMFF94)=251.491 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.576 g/mol  logS: 0.87328  SlogP: -0.4092  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136916  Sterimol/B1: 2.16317  Sterimol/B2: 3.53055  Sterimol/B3: 4.62796
  Sterimol/B4: 9.27239  Sterimol/L: 13.1563 
 
 Surface and Volume Properties
  Accessible surface: 576.072  Positive charged surface: 555.969  Negative charged surface: 20.1032  Volume: 384.25
  Hydrophobic surface: 555.969  Hydrophilic surface: 20.103
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  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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Ions/Tautomers related molecules


MMs03127834
PUBCHEM-ZINC04521556