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PUBCHEM-ZINC02006807

 MMsINC code: MMs02846800
Type: Neutral
Formula: C17H40N2+2
SMILES:   [N+](CCCCCCCCCCC[N+](C)(C)C)(C)(C)C
InChI:   InChI=1/C17H40N2/c1-18(2,3)16-14-12-10-8-7-9-11-13-15-17-19(4,5)6/h7-17H2,1-6H3/q+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.9692 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.521 g/mol  logS: -2.50874  SlogP: 3.9097  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0257369  Sterimol/B1: 2.1145  Sterimol/B2: 2.37479  Sterimol/B3: 3.81115
  Sterimol/B4: 4.77434  Sterimol/L: 22.0402 
 
 Surface and Volume Properties
  Accessible surface: 642.867  Positive charged surface: 611.637  Negative charged surface: 31.2304  Volume: 337.625
  Hydrophobic surface: 531.13  Hydrophilic surface: 111.737
 
 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.