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


ENAMINE-ZINC05575332

 MMsINC code: MMs01624211
Type: Neutral
Formula: C14H10NO3-
SMILES:   O=C(\C=C\c1ccccc1C(=O)[O-])c1[nH]ccc1
InChI:   InChI=1/C14H11NO3/c16-13(12-6-3-9-15-12)8-7-10-4-1-2-5-11(10)14(17)18/h1-9,15H,(H,17,18)/p-1/b8-7+

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)=47.6711 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.238 g/mol  logS: -2.7895  SlogP: 1.2743  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0666456  Sterimol/B1: 2.50961  Sterimol/B2: 2.89983  Sterimol/B3: 3.8924
  Sterimol/B4: 6.64898  Sterimol/L: 14.6966 
 
 Surface and Volume Properties
  Accessible surface: 461.13  Positive charged surface: 210.646  Negative charged surface: 250.484  Volume: 228.5
  Hydrophobic surface: 290.028  Hydrophilic surface: 171.102
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 2  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


MMs01624212
ENAMINE-ZINC05575332