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PUBCHEM-ZINC05554704

 MMsINC code: MMs03305566
Type: Neutral
Formula: C23H48N2+2
SMILES:   [N+]1(CCCCC1)(CCCCC[N+]1(CCCCC1)CCCC)CCCC
InChI:   InChI=1/C23H48N2/c1-3-5-16-24(18-10-7-11-19-24)22-14-9-15-23-25(17-6-4-2)20-12-8-13-21-25/h3-23H2,1-2H3/q+2

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Potential Energy
Epot(MMFF94)=113.58 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.651 g/mol  logS: -3.32757  SlogP: 5.7583  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0822719  Sterimol/B1: 2.44214  Sterimol/B2: 2.54944  Sterimol/B3: 5.18067
  Sterimol/B4: 8.72166  Sterimol/L: 17.5443 
 
 Surface and Volume Properties
  Accessible surface: 706.744  Positive charged surface: 589.864  Negative charged surface: 116.879  Volume: 414.25
  Hydrophobic surface: 634.819  Hydrophilic surface: 71.925
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 2
  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: no related molecules available.