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


ASINEX-ZINC02030694

 MMsINC code: MMs00261025
Type: Neutral
Formula: C10H6BrNO3
SMILES:   Brc1cc2c(N(C(=O)C)C(=O)C2=O)cc1
InChI:   InChI=1/C10H6BrNO3/c1-5(13)12-8-3-2-6(11)4-7(8)9(14)10(12)15/h2-4H,1H3

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)=54.0262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.066 g/mol  logS: -3.41979  SlogP: 1.5249  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0115359  Sterimol/B1: 2.16807  Sterimol/B2: 2.51226  Sterimol/B3: 3.39509
  Sterimol/B4: 5.47983  Sterimol/L: 12.707 
 
 Surface and Volume Properties
  Accessible surface: 397.297  Positive charged surface: 153.785  Negative charged surface: 243.513  Volume: 193.5
  Hydrophobic surface: 273.928  Hydrophilic surface: 123.369
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.