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PUBCHEM-ZINC05551537

 MMsINC code: MMs03304822
Type: Neutral
Formula: C22H48N2
SMILES:   N(CCCCCCCCCCN(CCCC)CC)(CCCC)CC
InChI:   InChI=1/C22H48N2/c1-5-9-19-23(7-3)21-17-15-13-11-12-14-16-18-22-24(8-4)20-10-6-2/h5-22H2,1-4H3

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Potential Energy
Epot(MMFF94)=20.3084 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.64 g/mol  logS: -4.9971  SlogP: 6.3512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0154037  Sterimol/B1: 2.47902  Sterimol/B2: 2.72441  Sterimol/B3: 3.55303
  Sterimol/B4: 8.6232  Sterimol/L: 23.7328 
 
 Surface and Volume Properties
  Accessible surface: 806.405  Positive charged surface: 670.951  Negative charged surface: 135.454  Volume: 423.625
  Hydrophobic surface: 713.415  Hydrophilic surface: 92.99
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules


MMs03304823
PUBCHEM-ZINC05551537