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


IBS-ZINC05442930

 MMsINC code: MMs01947279
Type: Neutral
Formula: C14H28O
SMILES:   OC(C)C1CCCCCCCCCCC1
InChI:   InChI=1/C14H28O/c1-13(15)14-11-9-7-5-3-2-4-6-8-10-12-14/h13-15H,2-12H2,1H3/t13-/m0/s1

Download   format file 
Drug Similarity  |  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)=83.6898 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.377 g/mol  logS: -4.9809  SlogP: 4.2881  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.141498  Sterimol/B1: 2.48989  Sterimol/B2: 3.88709  Sterimol/B3: 4.21153
  Sterimol/B4: 5.8418  Sterimol/L: 12.0637 
 
 Surface and Volume Properties
  Accessible surface: 440.232  Positive charged surface: 339.063  Negative charged surface: 101.169  Volume: 251.875
  Hydrophobic surface: 381.706  Hydrophilic surface: 58.526
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.