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


NCID-ZINC01589769

 MMsINC code: MMs02244954
Type: Neutral
Formula: C8H14O6
SMILES:   O(C(=O)CC(O)C(O)CC(OC)=O)C
InChI:   InChI=1/C8H14O6/c1-13-7(11)3-5(9)6(10)4-8(12)14-2/h5-6,9-10H,3-4H2,1-2H3/t5-,6+

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)=31.1547 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 206.194 g/mol  logS: 0.23436  SlogP: -1.1656  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0448849  Sterimol/B1: 2.99651  Sterimol/B2: 3.10832  Sterimol/B3: 3.40444
  Sterimol/B4: 3.47804  Sterimol/L: 15.6662 
 
 Surface and Volume Properties
  Accessible surface: 425.14  Positive charged surface: 328.099  Negative charged surface: 97.0402  Volume: 188
  Hydrophobic surface: 272.903  Hydrophilic surface: 152.237
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.