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


ASINEX-ZINC04676827

 MMsINC code: MMs00359233
Type: Neutral
Formula: C15H26O4
SMILES:   O1CCCCCCOC(=O)CCCCCCCC1=O
InChI:   InChI=1/C15H26O4/c16-14-10-6-2-1-3-7-11-15(17)19-13-9-5-4-8-12-18-14/h1-13H2

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)=49.9187 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.369 g/mol  logS: -3.07584  SlogP: 3.3775  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0997398  Sterimol/B1: 2.4242  Sterimol/B2: 3.79762  Sterimol/B3: 5.73863
  Sterimol/B4: 5.91207  Sterimol/L: 11.833 
 
 Surface and Volume Properties
  Accessible surface: 502.645  Positive charged surface: 384.025  Negative charged surface: 118.619  Volume: 281.125
  Hydrophobic surface: 430.802  Hydrophilic surface: 71.843
 
 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.