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


NCID-ZINC04691807

 MMsINC code: MMs02393452
Type: Neutral
Formula: C22H14Br4O4
SMILES:   Brc1cc(cc(Br)c1OC)C(=O)c1ccccc1C(=O)c1cc(Br)c(OC)c(Br)c1
InChI:   InChI=1/C22H14Br4O4/c1-29-21-15(23)7-11(8-16(21)24)19(27)13-5-3-4-6-14(13)20(28)12-9-17(25)22(30-2)18(26)10-12/h3-10H,1-2H3

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)=131.237 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 661.966 g/mol  logS: -9.99282  SlogP: 7.2158  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106633  Sterimol/B1: 3.84263  Sterimol/B2: 4.25195  Sterimol/B3: 4.44837
  Sterimol/B4: 8.9251  Sterimol/L: 17.003 
 
 Surface and Volume Properties
  Accessible surface: 723.706  Positive charged surface: 275.758  Negative charged surface: 447.949  Volume: 447.375
  Hydrophobic surface: 670.985  Hydrophilic surface: 52.721
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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: no related molecules available.