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


NCID-ZINC05339388

 MMsINC code: MMs02452423
Type: Neutral
Formula: C8H16O8
SMILES:   O(C(=O)C(O)C(O)C(O)C(O)C(O)CO)C
InChI:   InChI=1/C8H16O8/c1-16-8(15)7(14)6(13)5(12)4(11)3(10)2-9/h3-7,9-14H,2H2,1H3/t3-,4-,5-,6-,7+/m1/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)=93.334 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.208 g/mol  logS: 1.21653  SlogP: -4.0438  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102726  Sterimol/B1: 2.16475  Sterimol/B2: 2.57306  Sterimol/B3: 4.09781
  Sterimol/B4: 4.61986  Sterimol/L: 14.7058 
 
 Surface and Volume Properties
  Accessible surface: 435.346  Positive charged surface: 315.523  Negative charged surface: 119.823  Volume: 203.125
  Hydrophobic surface: 190.799  Hydrophilic surface: 244.547
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 7  Acid groups: 0  Basic groups: 0
  Chiral centers: 5
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.