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


FDA-ZINC03830684

 MMsINC code: MMs01726609
Type: Neutral
Formula: C11H10I2N2O4
SMILES:   Ic1c(C(O)=O)c(I)c(NC(=O)C)cc1NC(=O)C
InChI:   InChI=1/C11H10I2N2O4/c1-4(16)14-6-3-7(15-5(2)17)10(13)8(9(6)12)11(18)19/h3H,1-2H3,(H,14,16)(H,15,17)(H,18,19)

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)=71.1132 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 488.019 g/mol  logS: -3.75622  SlogP: 2.5108  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0529949  Sterimol/B1: 2.51097  Sterimol/B2: 2.5523  Sterimol/B3: 3.23806
  Sterimol/B4: 9.21652  Sterimol/L: 12.1146 
 
 Surface and Volume Properties
  Accessible surface: 513.405  Positive charged surface: 211.502  Negative charged surface: 301.904  Volume: 273.125
  Hydrophobic surface: 356.971  Hydrophilic surface: 156.434
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs01726610
FDA-ZINC03830684