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PUBCHEM-ZINC05764608

 MMsINC code: MMs03378138
Type: Neutral
Formula: C20H46N2+2
SMILES:   [N+](CCCCCCCCCCCCCC[N+](C)(C)C)(C)(C)C
InChI:   InChI=1/C20H46N2/c1-21(2,3)19-17-15-13-11-9-7-8-10-12-14-16-18-20-22(4,5)6/h7-20H2,1-6H3/q+2

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Potential Energy
Epot(MMFF94)=62.9803 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.602 g/mol  logS: -4.0544  SlogP: 5.08  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0168506  Sterimol/B1: 2.15066  Sterimol/B2: 2.37542  Sterimol/B3: 3.88156
  Sterimol/B4: 4.77424  Sterimol/L: 25.7831 
 
 Surface and Volume Properties
  Accessible surface: 734.533  Positive charged surface: 691.732  Negative charged surface: 42.8006  Volume: 391.375
  Hydrophobic surface: 620.816  Hydrophilic surface: 113.717
 
 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.