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


NCID-ZINC04975222

 MMsINC code: MMs02423227
Type: Neutral
Formula: C14H20O10
SMILES:   O1C(CO)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C
InChI:   InChI=1/C14H20O10/c1-6(16)20-11-10(5-15)24-14(23-9(4)19)13(22-8(3)18)12(11)21-7(2)17/h10-15H,5H2,1-4H3/t10-,11+,12-,13-,14+/m1/s1

Download   format file 
Drug Similarity  |  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)=62.2002 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.304 g/mol  logS: -1.22233  SlogP: -0.9382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.313433  Sterimol/B1: 3.63684  Sterimol/B2: 4.34232  Sterimol/B3: 5.3584
  Sterimol/B4: 7.6721  Sterimol/L: 12.8641 
 
 Surface and Volume Properties
  Accessible surface: 570.135  Positive charged surface: 360.103  Negative charged surface: 210.033  Volume: 300.125
  Hydrophobic surface: 391.974  Hydrophilic surface: 178.161
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.