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


PUBCHEM-ZINC06020802

 MMsINC code: MMs03495982
Type: Neutral
Formula: C11H24O5
SMILES:   O(C(CO)C)CC(OCCOCCOC)C
InChI:   InChI=1/C11H24O5/c1-10(8-12)16-9-11(2)15-7-6-14-5-4-13-3/h10-12H,4-9H2,1-3H3/t10-,11-/m0/s1

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)=66.4201 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.308 g/mol  logS: -0.61298  SlogP: 0.4519  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.136453  Sterimol/B1: 3.47417  Sterimol/B2: 4.24075  Sterimol/B3: 4.28842
  Sterimol/B4: 5.79907  Sterimol/L: 14.5711 
 
 Surface and Volume Properties
  Accessible surface: 547.99  Positive charged surface: 481.359  Negative charged surface: 66.631  Volume: 247.375
  Hydrophobic surface: 447.412  Hydrophilic surface: 100.578
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.