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PUBCHEM-ZINC05764741

 MMsINC code: MMs03378255
Type: Neutral
Formula: C16H34N2+2
SMILES:   [N+]1(CCCCC1)(CCCC[N+]1(CCCCC1)C)C
InChI:   InChI=1/C16H34N2/c1-17(11-5-3-6-12-17)15-9-10-16-18(2)13-7-4-8-14-18/h3-16H2,1-2H3/q+2

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Potential Energy
Epot(MMFF94)=99.3426 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.462 g/mol  logS: -1.0374  SlogP: 3.0276  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0660071  Sterimol/B1: 1.969  Sterimol/B2: 3.50765  Sterimol/B3: 4.44787
  Sterimol/B4: 4.94297  Sterimol/L: 16.5066 
 
 Surface and Volume Properties
  Accessible surface: 521.28  Positive charged surface: 466.465  Negative charged surface: 54.815  Volume: 293.375
  Hydrophobic surface: 464.936  Hydrophilic surface: 56.344
 
 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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.