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


PUBCHEM-ZINC05511163

 MMsINC code: MMs03292107
Type: Neutral
Formula: C18H38O2
SMILES:   O(C(CCCCC)(CCCCC)CCCCC)CCO
InChI:   InChI=1/C18H38O2/c1-4-7-10-13-18(20-17-16-19,14-11-8-5-2)15-12-9-6-3/h19H,4-17H2,1-3H3

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)=47.9565 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.5 g/mol  logS: -5.75456  SlogP: 5.475  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.346836  Sterimol/B1: 2.15527  Sterimol/B2: 3.05142  Sterimol/B3: 7.7219
  Sterimol/B4: 11.1746  Sterimol/L: 14.5724 
 
 Surface and Volume Properties
  Accessible surface: 648.717  Positive charged surface: 522.819  Negative charged surface: 125.898  Volume: 341.75
  Hydrophobic surface: 529.518  Hydrophilic surface: 119.199
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.