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


ASINEX-ZINC00860791

 MMsINC code: MMs00197009
Type: Tautomer
Formula: C24H20N2O4
SMILES:   O(C)c1ccccc1C\1N(Cc2cccnc2)C(=O)C(=O)/C/1=C(\O)/c1ccccc1
InChI:   InChI=1/C24H20N2O4/c1-30-19-12-6-5-11-18(19)21-20(22(27)17-9-3-2-4-10-17)23(28)24(29)26(21)15-16-8-7-13-25-14-16/h2-14,21,27H,15H2,1H3/b22-20+/t21-/m1/s1

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)=115.912 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 400.434 g/mol  logS: -4.42274  SlogP: 4.074  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.173575  Sterimol/B1: 1.969  Sterimol/B2: 2.63189  Sterimol/B3: 5.70698
  Sterimol/B4: 9.51949  Sterimol/L: 15.6241 
 
 Surface and Volume Properties
  Accessible surface: 614.86  Positive charged surface: 409.332  Negative charged surface: 205.528  Volume: 377.5
  Hydrophobic surface: 511.271  Hydrophilic surface: 103.589
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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:  
   
Parent related molecule:


MMs00197007
ASINEX-ZINC00860791