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


PUBCHEM-ZINC05819854

 MMsINC code: MMs03398930
Type: Neutral
Formula: C18H34O2
SMILES:   O(C(OC)CCCCCCCCCC#CCCCC)C
InChI:   InChI=1/C18H34O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19-2)20-3/h18H,4-6,9-17H2,1-3H3

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)=20.9177 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.468 g/mol  logS: -6.24149  SlogP: 5.30981  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0126037  Sterimol/B1: 2.78886  Sterimol/B2: 3.23397  Sterimol/B3: 3.56209
  Sterimol/B4: 4.37  Sterimol/L: 25.371 
 
 Surface and Volume Properties
  Accessible surface: 683.012  Positive charged surface: 580.594  Negative charged surface: 102.418  Volume: 338.75
  Hydrophobic surface: 611.318  Hydrophilic surface: 71.694
 
 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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.