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


NCID-ZINC05201827

 MMsINC code: MMs02447704
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)=79.4567 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: 0.0581914  Sterimol/B1: 3.14871  Sterimol/B2: 3.38335  Sterimol/B3: 3.5088
  Sterimol/B4: 4.36363  Sterimol/L: 14.2867 
 
 Surface and Volume Properties
  Accessible surface: 430.888  Positive charged surface: 315.311  Negative charged surface: 115.577  Volume: 199.625
  Hydrophobic surface: 234.681  Hydrophilic surface: 196.207
 
 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.