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


ACROSORGANICS-ZINC03861692

 MMsINC code: MMs00016065
Type: Neutral
Formula: C20H44N+
SMILES:   [N+](CCCCC)(CCCCC)(CCCCC)CCCCC
InChI:   InChI=1/C20H44N/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-20H2,1-4H3/q+1

Download   format file 
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)=62.0901 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 298.579 g/mol  logS: -5.59573  SlogP: 6.564  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110106  Sterimol/B1: 2.11438  Sterimol/B2: 2.19768  Sterimol/B3: 3.81132
  Sterimol/B4: 12.1147  Sterimol/L: 14.3125 
 
 Surface and Volume Properties
  Accessible surface: 684.836  Positive charged surface: 546.258  Negative charged surface: 138.578  Volume: 378.625
  Hydrophobic surface: 577.367  Hydrophilic surface: 107.469
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.