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


NCID-ZINC01576794

 MMsINC code: MMs02235281
Type: Neutral
Formula: C10H14O8
SMILES:   O1COC2C(OCOC2C(OC)=O)C1C(OC)=O
InChI:   InChI=1/C10H14O8/c1-13-9(11)7-5-6(16-3-17-7)8(10(12)14-2)18-4-15-5/h5-8H,3-4H2,1-2H3/t5-,6-,7-,8+/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)=63.9205 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.214 g/mol  logS: -0.68612  SlogP: -1.1846  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.239692  Sterimol/B1: 2.48971  Sterimol/B2: 2.87362  Sterimol/B3: 5.97494
  Sterimol/B4: 7.39679  Sterimol/L: 12.1374 
 
 Surface and Volume Properties
  Accessible surface: 450.037  Positive charged surface: 362.154  Negative charged surface: 87.8832  Volume: 216.25
  Hydrophobic surface: 299.624  Hydrophilic surface: 150.413
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.