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


ACROSORGANICS-ZINC01648294

 MMsINC code: MMs00010226
Type: Neutral
Formula: C8H14O4
SMILES:   O(C(=O)CCC(OCC)=O)CC
InChI:   InChI=1/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3

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)=2.75767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 174.196 g/mol  logS: -0.82514  SlogP: 0.8928  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0234189  Sterimol/B1: 2.37505  Sterimol/B2: 2.3754  Sterimol/B3: 2.84553
  Sterimol/B4: 3.67256  Sterimol/L: 15.7526 
 
 Surface and Volume Properties
  Accessible surface: 419.063  Positive charged surface: 304.86  Negative charged surface: 114.203  Volume: 174.625
  Hydrophobic surface: 289.757  Hydrophilic surface: 129.306
 
 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.