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


PUBCHEM-ZINC01845457

 MMsINC code: MMs02823783
Type: Neutral
Formula: C14H28O2
SMILES:   O(C)C1(OC)CCCCCCCCCCC1
InChI:   InChI=1/C14H28O2/c1-15-14(16-2)12-10-8-6-4-3-5-7-9-11-13-14/h3-13H2,1-2H3

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)=353.452 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.376 g/mol  logS: -4.49424  SlogP: 4.2802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.199362  Sterimol/B1: 2.98241  Sterimol/B2: 3.94891  Sterimol/B3: 4.79685
  Sterimol/B4: 5.08094  Sterimol/L: 12.1396 
 
 Surface and Volume Properties
  Accessible surface: 425.033  Positive charged surface: 336.143  Negative charged surface: 88.89  Volume: 248.5
  Hydrophobic surface: 412.687  Hydrophilic surface: 12.346
 
 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.