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


ASINEX-ZINC04663482

 MMsINC code: MMs00358406
Type: Tautomer
Formula: C24H24N2O4
SMILES:   O(C)c1ccc(cc1)C1CC(=O)C2C(=NC(=C)C(C(OC)=O)C2c2ccncc2)C1
InChI:   InChI=1/C24H24N2O4/c1-14-21(24(28)30-3)22(16-8-10-25-11-9-16)23-19(26-14)12-17(13-20(23)27)15-4-6-18(29-2)7-5-15/h4-11,17,21-23H,1,12-13H2,2-3H3/t17-,21+,22+,23+/m0/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)=164.921 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.466 g/mol  logS: -3.09254  SlogP: 3.6942  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.299819  Sterimol/B1: 2.40532  Sterimol/B2: 5.74837  Sterimol/B3: 5.89542
  Sterimol/B4: 6.96708  Sterimol/L: 13.9446 
 
 Surface and Volume Properties
  Accessible surface: 564.833  Positive charged surface: 435.736  Negative charged surface: 129.097  Volume: 378.75
  Hydrophobic surface: 475.14  Hydrophilic surface: 89.693
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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:


MMs00358403
ASINEX-ZINC04663482