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


CHEMBRIDGE-ZINC01213794

 MMsINC code: MMs00688965
Type: Neutral
Formula: C24H24N2O4
SMILES:   O(C)c1ccc(cc1)CC(=O)Nc1cc(NC(=O)Cc2ccc(OC)cc2)ccc1
InChI:   InChI=1/C24H24N2O4/c1-29-21-10-6-17(7-11-21)14-23(27)25-19-4-3-5-20(16-19)26-24(28)15-18-8-12-22(30-2)13-9-18/h3-13,16H,14-15H2,1-2H3,(H,25,27)(H,26,28)

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)=134.264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.466 g/mol  logS: -5.54856  SlogP: 4.06614  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0263771  Sterimol/B1: 2.24009  Sterimol/B2: 3.89382  Sterimol/B3: 4.03259
  Sterimol/B4: 6.18821  Sterimol/L: 24.4888 
 
 Surface and Volume Properties
  Accessible surface: 734.672  Positive charged surface: 508.27  Negative charged surface: 226.403  Volume: 393.125
  Hydrophobic surface: 639.28  Hydrophilic surface: 95.392
 
 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: no related molecules available.