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


PUBCHEM-ZINC06042589

 MMsINC code: MMs03509331
Type: Neutral
Formula: C14H27NO
SMILES:   O=C(N(CCCC)CCCC)C1CCCC1
InChI:   InChI=1/C14H27NO/c1-3-5-11-15(12-6-4-2)14(16)13-9-7-8-10-13/h13H,3-12H2,1-2H3

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)=23.925 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 225.376 g/mol  logS: -3.08482  SlogP: 3.6054  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0920282  Sterimol/B1: 2.53719  Sterimol/B2: 3.63181  Sterimol/B3: 4.58191
  Sterimol/B4: 7.22648  Sterimol/L: 13.8492 
 
 Surface and Volume Properties
  Accessible surface: 509.337  Positive charged surface: 392.694  Negative charged surface: 116.643  Volume: 262.5
  Hydrophobic surface: 445.825  Hydrophilic surface: 63.512
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  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.