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


PUBCHEM-ZINC02520216

 MMsINC code: MMs02892321
Type: Neutral
Formula: C23H20N4O4
SMILES:   Oc1ccccc1\C=N\NC(=O)C(=O)Nc1ccccc1C(=O)Nc1cc(ccc1)C
InChI:   InChI=1/C23H20N4O4/c1-15-7-6-9-17(13-15)25-21(29)18-10-3-4-11-19(18)26-22(30)23(31)27-24-14-16-8-2-5-12-20(16)28/h2-14,28H,1H3,(H,25,29)(H,26,30)(H,27,31)/b24-14+

Download   format file 
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)=155.834 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 416.437 g/mol  logS: -5.84864  SlogP: 3.04172  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0176179  Sterimol/B1: 2.41879  Sterimol/B2: 2.77858  Sterimol/B3: 4.09114
  Sterimol/B4: 10.7065  Sterimol/L: 21.1453 
 
 Surface and Volume Properties
  Accessible surface: 718.06  Positive charged surface: 422.683  Negative charged surface: 295.378  Volume: 385.875
  Hydrophobic surface: 543.708  Hydrophilic surface: 174.352
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.