logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


NCID-ZINC01607028

 MMsINC code: MMs02258868
Type: Neutral
Formula: C20H38N2+2
SMILES:   [N+](Cc1ccc(cc1)C[N+](CC)(CC)CC)(CC)(CC)CC
InChI:   InChI=1/C20H38N2/c1-7-21(8-2,9-3)17-19-13-15-20(16-14-19)18-22(10-4,11-5)12-6/h13-16H,7-12,17-18H2,1-6H3/q+2

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=174.909 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 306.538 g/mol  logS: -2.83028  SlogP: 4.9724  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0573494  Sterimol/B1: 2.37471  Sterimol/B2: 3.14267  Sterimol/B3: 3.36925
  Sterimol/B4: 7.2729  Sterimol/L: 17.0518 
 
 Surface and Volume Properties
  Accessible surface: 552.724  Positive charged surface: 410.456  Negative charged surface: 142.268  Volume: 355
  Hydrophobic surface: 399.009  Hydrophilic surface: 153.715
 
 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
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.