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


PUBCHEM-ZINC05273889

 MMsINC code: MMs03229194
Type: Neutral
Formula: C10H20O6
SMILES:   O(C(C(OC)C(OC)C=O)C(O)COC)C
InChI:   InChI=1/C10H20O6/c1-13-6-7(12)9(15-3)10(16-4)8(5-11)14-2/h5,7-10,12H,6H2,1-4H3/t7-,8+,9-,10+/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)=94.1733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.264 g/mol  logS: 0.00889  SlogP: -0.7624  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0946393  Sterimol/B1: 2.6546  Sterimol/B2: 4.13756  Sterimol/B3: 4.98693
  Sterimol/B4: 5.14264  Sterimol/L: 14.2949 
 
 Surface and Volume Properties
  Accessible surface: 463.853  Positive charged surface: 407.913  Negative charged surface: 55.9404  Volume: 231.625
  Hydrophobic surface: 370.094  Hydrophilic surface: 93.759
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.