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


PUBCHEM-ZINC05158672

 MMsINC code: MMs03214808
Type: Neutral
Formula: C10H18O
SMILES:   O=CC(CCC=C(C)C)(C)C
InChI:   InChI=1/C10H18O/c1-9(2)6-5-7-10(3,4)8-11/h6,8H,5,7H2,1-4H3

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)=38.6827 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 154.253 g/mol  logS: -2.08962  SlogP: 2.9579  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.138223  Sterimol/B1: 1.98556  Sterimol/B2: 3.32135  Sterimol/B3: 3.78053
  Sterimol/B4: 4.78751  Sterimol/L: 12.0817 
 
 Surface and Volume Properties
  Accessible surface: 384.332  Positive charged surface: 261.902  Negative charged surface: 122.43  Volume: 182.625
  Hydrophobic surface: 292.775  Hydrophilic surface: 91.557
 
 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.