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


NCID-ZINC05822382

 MMsINC code: MMs02502321
Type: Neutral
Formula:
SMILES:   Brc1c2nsnc2c(Br)c2nsnc12
InChI:   InChI=1/C6Br2N4S2/c7-1-3-5(11-13-9-3)2(8)6-4(1)10-14-12-6

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)=67.4432 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.034 g/mol  logS: -4.58516  SlogP: 3.0643  Reactive groups: 0
 
 Topological Properties
  Globularity: 7.43448e-07  Sterimol/B1: 2.1843  Sterimol/B2: 2.18747  Sterimol/B3: 4.75385
  Sterimol/B4: 6.21685  Sterimol/L: 11.2929 
 
 Surface and Volume Properties
  Accessible surface: 390.716  Positive charged surface: 166.609  Negative charged surface: 224.108  Volume: 195.875
  Hydrophobic surface: 181.219  Hydrophilic surface: 209.497
 
 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: 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.