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


PUBCHEM-ZINC05820218

 MMsINC code: MMs03399245
Type: Neutral
Formula: C10H18O2
SMILES:   OC(=O)CC(CCCCCC)=C
InChI:   InChI=1/C10H18O2/c1-3-4-5-6-7-9(2)8-10(11)12/h2-8H2,1H3,(H,11,12)

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)=10.2416 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 170.252 g/mol  logS: -3.18448  SlogP: 2.9877  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0708169  Sterimol/B1: 2.68219  Sterimol/B2: 3.43318  Sterimol/B3: 3.48468
  Sterimol/B4: 4.60021  Sterimol/L: 14.1816 
 
 Surface and Volume Properties
  Accessible surface: 424.599  Positive charged surface: 305.706  Negative charged surface: 118.892  Volume: 193.375
  Hydrophobic surface: 279.697  Hydrophilic surface: 144.902
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03399246
PUBCHEM-ZINC05820218