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


NCID-ZINC01641919

 MMsINC code: MMs02283928
Type: Neutral
Formula: C13H26O3
SMILES:   O(CCCCCCCCCCCC(O)=O)C
InChI:   InChI=1/C13H26O3/c1-16-12-10-8-6-4-2-3-5-7-9-11-13(14)15/h2-12H2,1H3,(H,14,15)

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)=2.51929 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.348 g/mol  logS: -3.30757  SlogP: 3.6184  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0163942  Sterimol/B1: 2.37545  Sterimol/B2: 2.3756  Sterimol/B3: 2.62954
  Sterimol/B4: 3.27223  Sterimol/L: 21.7216 
 
 Surface and Volume Properties
  Accessible surface: 548.71  Positive charged surface: 456.711  Negative charged surface: 91.9989  Volume: 258.75
  Hydrophobic surface: 440.232  Hydrophilic surface: 108.478
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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


MMs02283929
NCID-ZINC01641919