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


PUBCHEM-ZINC05287109

 MMsINC code: MMs03233745
Type: Neutral
Formula: C17H34O3
SMILES:   OC(=O)CCCCCCCCCCCCCCCCO
InChI:   InChI=1/C17H34O3/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17(19)20/h18H,1-16H2,(H,19,20)

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)=-2.21976 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.456 g/mol  logS: -5.53849  SlogP: 4.9148  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0108235  Sterimol/B1: 2.37505  Sterimol/B2: 2.37599  Sterimol/B3: 2.92674
  Sterimol/B4: 3.00589  Sterimol/L: 26.5598 
 
 Surface and Volume Properties
  Accessible surface: 667.021  Positive charged surface: 538.844  Negative charged surface: 128.178  Volume: 327.25
  Hydrophobic surface: 514.411  Hydrophilic surface: 152.61
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs03233746
PUBCHEM-ZINC05287109