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


ASINEX-ZINC00065268

 MMsINC code: MMs00068001
Type: Neutral
Formula: C15H10N2O2
SMILES:   OC(=O)c1cc(nc2c1cccc2)-c1ccncc1
InChI:   InChI=1/C15H10N2O2/c18-15(19)12-9-14(10-5-7-16-8-6-10)17-13-4-2-1-3-11(12)13/h1-9H,(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)=70.2141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 250.257 g/mol  logS: -3.07986  SlogP: 2.995  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.000126611  Sterimol/B1: 2.10502  Sterimol/B2: 2.11243  Sterimol/B3: 3.76661
  Sterimol/B4: 6.90195  Sterimol/L: 13.4823 
 
 Surface and Volume Properties
  Accessible surface: 449.608  Positive charged surface: 265.47  Negative charged surface: 173.066  Volume: 234
  Hydrophobic surface: 327.764  Hydrophilic surface: 121.844
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs00068002
ASINEX-ZINC00065268