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


IBS-ZINC04026492

 MMsINC code: MMs01874980
Type: Neutral
Formula: C15H26O4
SMILES:   O1CCCCCOC(=O)CCCCCCCCC1=O
InChI:   InChI=1/C15H26O4/c16-14-10-6-3-1-2-4-7-11-15(17)19-13-9-5-8-12-18-14/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)=66.5386 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.369 g/mol  logS: -3.38929  SlogP: 3.3775  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0923481  Sterimol/B1: 2.65756  Sterimol/B2: 3.42188  Sterimol/B3: 5.14699
  Sterimol/B4: 6.70859  Sterimol/L: 12.244 
 
 Surface and Volume Properties
  Accessible surface: 501.482  Positive charged surface: 385.125  Negative charged surface: 116.357  Volume: 281.125
  Hydrophobic surface: 428.262  Hydrophilic surface: 73.22
 
 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.