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


ALFAAESAR-ZINC01693284

 MMsINC code: MMs00021909
Type: Neutral
Formula: C8H14O3
SMILES:   O(CCOC=C)CCOC=C
InChI:   InChI=1/C8H14O3/c1-3-9-5-7-11-8-6-10-4-2/h3-4H,1-2,5-8H2

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)=39.3722 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.197 g/mol  logS: -0.30086  SlogP: 1.3232  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.117257  Sterimol/B1: 2.18401  Sterimol/B2: 2.49003  Sterimol/B3: 4.28893
  Sterimol/B4: 5.38166  Sterimol/L: 13.0463 
 
 Surface and Volume Properties
  Accessible surface: 427.528  Positive charged surface: 293.436  Negative charged surface: 134.092  Volume: 168.5
  Hydrophobic surface: 331.09  Hydrophilic surface: 96.438
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.