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


NCID-ZINC01861926

 MMsINC code: MMs02373981
Type: Neutral
Formula: C24H24Cl2O8
SMILES:   Clc1cc(cc(C(OC)=O)c1OC)C(=CCCCC(O)=O)c1cc(C(OC)=O)c(OC)c(Cl)
c1
InChI:   InChI=1/C24H24Cl2O8/c1-31-21-16(23(29)33-3)9-13(11-18(21)25)15(7-5-6-8-20(27)28)14-10-17(24(30)34-4)22(32-2)19(26)12-14/h7,9-12H,5-6,8H2,1-4H3,(H,27,28)

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)=122.885 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 511.354 g/mol  logS: -6.87635  SlogP: 5.08769  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.160396  Sterimol/B1: 2.71171  Sterimol/B2: 4.25243  Sterimol/B3: 6.47155
  Sterimol/B4: 11.4986  Sterimol/L: 16.4165 
 
 Surface and Volume Properties
  Accessible surface: 808.351  Positive charged surface: 548.099  Negative charged surface: 260.252  Volume: 451
  Hydrophobic surface: 633.257  Hydrophilic surface: 175.094
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02373982
NCID-ZINC01861926