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PUBCHEM-ZINC05647360

 MMsINC code: MMs03334208
Type: Neutral
Formula: C18H42N2+2
SMILES:   [N+](CCCCCC[N+](CCCC)(C)C)(CCCC)(C)C
InChI:   InChI=1/C18H42N2/c1-7-9-15-19(3,4)17-13-11-12-14-18-20(5,6)16-10-8-2/h7-18H2,1-6H3/q+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.4911 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.548 g/mol  logS: -2.02104  SlogP: 4.2998  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.028515  Sterimol/B1: 3.14483  Sterimol/B2: 3.23074  Sterimol/B3: 3.57477
  Sterimol/B4: 3.57496  Sterimol/L: 23.2422 
 
 Surface and Volume Properties
  Accessible surface: 650.249  Positive charged surface: 580.248  Negative charged surface: 70.0017  Volume: 355.125
  Hydrophobic surface: 530.701  Hydrophilic surface: 119.548
 
 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.