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


PUBCHEM-ZINC01093273

 MMsINC code: MMs02768247
Type: Neutral
Formula: C10H4Br3ClN4O4
SMILES:   BrC1=CN(C(N2C=C(Br)C(=O)NC2=O)=C(Br)Cl)C(=O)NC1=O
InChI:   InChI=1/C10H4Br3ClN4O4/c11-3-1-17(9(21)15-6(3)19)8(5(13)14)18-2-4(12)7(20)16-10(18)22/h1-2H,(H,15,19,21)(H,16,20,22)

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)=59.7576 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 519.331 g/mol  logS: -5.94939  SlogP: 2.6496  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.231186  Sterimol/B1: 3.3938  Sterimol/B2: 3.68197  Sterimol/B3: 5.47283
  Sterimol/B4: 5.88245  Sterimol/L: 12.7059 
 
 Surface and Volume Properties
  Accessible surface: 531.061  Positive charged surface: 112.191  Negative charged surface: 418.869  Volume: 297.75
  Hydrophobic surface: 334.074  Hydrophilic surface: 196.987
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.