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


ALFAAESAR-ZINC01999085

 MMsINC code: MMs00022312
Type: Neutral
Formula: C10H24N+
SMILES:   [N+](CCCC)(CC)(CC)CC
InChI:   InChI=1/C10H24N/c1-5-9-10-11(6-2,7-3)8-4/h5-10H2,1-4H3/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)=63.9493 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.309 g/mol  logS: -1.38388  SlogP: 2.663  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.16396  Sterimol/B1: 2.74964  Sterimol/B2: 3.26333  Sterimol/B3: 4.82337
  Sterimol/B4: 4.82403  Sterimol/L: 12.1367 
 
 Surface and Volume Properties
  Accessible surface: 384.111  Positive charged surface: 293.868  Negative charged surface: 90.2431  Volume: 199.625
  Hydrophobic surface: 282.169  Hydrophilic surface: 101.942
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.