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


NCID-ZINC05201828

 MMsINC code: MMs02447705
Type: Neutral
Formula: C8H14O8
SMILES:   O(C(=O)C(O)C(O)C(O)C(O)C(OC)=O)C
InChI:   InChI=1/C8H14O8/c1-15-7(13)5(11)3(9)4(10)6(12)8(14)16-2/h3-6,9-12H,1-2H3/t3-,4-,5-,6-/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)=73.4962 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.192 g/mol  logS: 0.40328  SlogP: -3.224  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.094565  Sterimol/B1: 2.37875  Sterimol/B2: 3.15398  Sterimol/B3: 4.10987
  Sterimol/B4: 4.25505  Sterimol/L: 14.136 
 
 Surface and Volume Properties
  Accessible surface: 433.374  Positive charged surface: 319.101  Negative charged surface: 114.274  Volume: 198.125
  Hydrophobic surface: 224.851  Hydrophilic surface: 208.523
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.