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


ASINEX-ZINC00873705

 MMsINC code: MMs00202872
Type: Neutral
Formula: C11H10N2O3
SMILES:   O(C)c1ccccc1-c1n[nH]c(c1)C(O)=O
InChI:   InChI=1/C11H10N2O3/c1-16-10-5-3-2-4-7(10)8-6-9(11(14)15)13-12-8/h2-6H,1H3,(H,12,13)(H,14,15)

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)=44.5797 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.212 g/mol  logS: -2.3888  SlogP: 1.7835  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00648312  Sterimol/B1: 2.37233  Sterimol/B2: 2.37678  Sterimol/B3: 2.52839
  Sterimol/B4: 7.47393  Sterimol/L: 13.2779 
 
 Surface and Volume Properties
  Accessible surface: 424.578  Positive charged surface: 268.163  Negative charged surface: 156.415  Volume: 199.75
  Hydrophobic surface: 258.936  Hydrophilic surface: 165.642
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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


MMs00202873
ASINEX-ZINC00873705