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


NCID-ZINC05838738

 MMsINC code: MMs02505131
Type: Neutral
Formula: C26H26O10
SMILES:   O1CC(Cc2cc(OC(=O)C)c(OC(=O)C)cc2)C(Cc2cc(OC(=O)C)c(OC(=O)C)c
c2)C1=O
InChI:   InChI=1/C26H26O10/c1-14(27)33-22-7-5-18(11-24(22)35-16(3)29)9-20-13-32-26(31)21(20)10-19-6-8-23(34-15(2)28)25(12-19)36-17(4)30/h5-8,11-12,20-21H,9-10,13H2,1-4H3/t20-,21+/m0/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)=132.319 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 498.484 g/mol  logS: -5.05318  SlogP: 2.96214  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0653603  Sterimol/B1: 2.33586  Sterimol/B2: 4.2703  Sterimol/B3: 4.93868
  Sterimol/B4: 7.39164  Sterimol/L: 21.7286 
 
 Surface and Volume Properties
  Accessible surface: 808.433  Positive charged surface: 457.269  Negative charged surface: 351.164  Volume: 450
  Hydrophobic surface: 606.484  Hydrophilic surface: 201.949
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.