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PUBCHEM-ZINC01998823

 MMsINC code: MMs02841316
Type: Neutral
Formula: C15H36N2+2
SMILES:   [N+](CCCCCCC[N+](CC)(C)C)(CC)(C)C
InChI:   InChI=1/C15H36N2/c1-7-16(3,4)14-12-10-9-11-13-15-17(5,6)8-2/h7-15H2,1-6H3/q+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=86.4129 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.467 g/mol  logS: -1.10228  SlogP: 3.1295  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.04106  Sterimol/B1: 2.9281  Sterimol/B2: 2.99892  Sterimol/B3: 3.57446
  Sterimol/B4: 3.57478  Sterimol/L: 19.5413 
 
 Surface and Volume Properties
  Accessible surface: 555.337  Positive charged surface: 496.698  Negative charged surface: 58.6387  Volume: 299.5
  Hydrophobic surface: 432.403  Hydrophilic surface: 122.934
 
 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.