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


NCID-ZINC01656310

 MMsINC code: MMs02294817
Type: Neutral
Formula: C8H18O2
SMILES:   O(CCCCOCC)CC
InChI:   InChI=1/C8H18O2/c1-3-9-7-5-6-8-10-4-2/h3-8H2,1-2H3

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)=8.5977 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 146.23 g/mol  logS: -0.93378  SlogP: 1.8396  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0308732  Sterimol/B1: 2.13215  Sterimol/B2: 2.3751  Sterimol/B3: 2.37589
  Sterimol/B4: 3.08639  Sterimol/L: 15.7316 
 
 Surface and Volume Properties
  Accessible surface: 414.839  Positive charged surface: 346.369  Negative charged surface: 68.4704  Volume: 174.5
  Hydrophobic surface: 355.482  Hydrophilic surface: 59.357
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.