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NCID-ZINC01683757

 MMsINC code: MMs02317319
Type: Neutral
Formula: C15H36N2+2
SMILES:   [N+](CCC[N+](CC)(CC)CC)(CC)(CC)CC
InChI:   InChI=1/C15H36N2/c1-7-16(8-2,9-3)14-13-15-17(10-4,11-5)12-6/h7-15H2,1-6H3/q+2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=140.993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.467 g/mol  logS: -1.29059  SlogP: 3.1295  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0994122  Sterimol/B1: 2.92697  Sterimol/B2: 2.99803  Sterimol/B3: 4.82371
  Sterimol/B4: 4.82386  Sterimol/L: 14.5452 
 
 Surface and Volume Properties
  Accessible surface: 486.759  Positive charged surface: 375.975  Negative charged surface: 110.784  Volume: 292.625
  Hydrophobic surface: 337.493  Hydrophilic surface: 149.266
 
 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.