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


PUBCHEM-ZINC05733888

 MMsINC code: MMs03364537
Type: Neutral
Formula: C11H18O
SMILES:   O=C(\C(=C(/C(=C\C)/C)\CC)\C)C
InChI:   InChI=1/C11H18O/c1-6-8(3)11(7-2)9(4)10(5)12/h6H,7H2,1-5H3/b8-6+,11-9+

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)=38.553 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.264 g/mol  logS: -3.08157  SlogP: 3.2681  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.232035  Sterimol/B1: 2.47623  Sterimol/B2: 2.48604  Sterimol/B3: 4.67167
  Sterimol/B4: 6.82881  Sterimol/L: 11.2093 
 
 Surface and Volume Properties
  Accessible surface: 396.605  Positive charged surface: 263.385  Negative charged surface: 133.22  Volume: 197.5
  Hydrophobic surface: 346.244  Hydrophilic surface: 50.361
 
 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.