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


CHEMDIV-ZINC00188576

 MMsINC code: MMs00837036
Type: Neutral
Formula: C15H13NO4
SMILES:   O(C)c1ccccc1C(=O)Nc1ccccc1C(O)=O
InChI:   InChI=1/C15H13NO4/c1-20-13-9-5-3-7-11(13)14(17)16-12-8-4-2-6-10(12)15(18)19/h2-9H,1H3,(H,16,17)(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)=89.1337 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.272 g/mol  logS: -3.37465  SlogP: 2.6457  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0295547  Sterimol/B1: 2.34583  Sterimol/B2: 2.54019  Sterimol/B3: 3.3708
  Sterimol/B4: 7.22589  Sterimol/L: 13.4398 
 
 Surface and Volume Properties
  Accessible surface: 488.083  Positive charged surface: 310.284  Negative charged surface: 177.798  Volume: 249
  Hydrophobic surface: 376.287  Hydrophilic surface: 111.796
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00837037
CHEMDIV-ZINC00188576