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


PUBCHEM-ZINC05696624

 MMsINC code: MMs03351762
Type: Neutral
Formula: C23H22N2O3
SMILES:   Oc1ccccc1C(=O)Nc1ccccc1C(=O)NC(Cc1ccccc1)C
InChI:   InChI=1/C23H22N2O3/c1-16(15-17-9-3-2-4-10-17)24-22(27)18-11-5-7-13-20(18)25-23(28)19-12-6-8-14-21(19)26/h2-14,16,26H,15H2,1H3,(H,24,27)(H,25,28)/t16-/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)=108.859 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.44 g/mol  logS: -5.29563  SlogP: 4.00547  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.22597  Sterimol/B1: 1.98554  Sterimol/B2: 3.4791  Sterimol/B3: 8.01916
  Sterimol/B4: 8.82277  Sterimol/L: 14.6756 
 
 Surface and Volume Properties
  Accessible surface: 653.298  Positive charged surface: 380.773  Negative charged surface: 272.525  Volume: 366.875
  Hydrophobic surface: 548.801  Hydrophilic surface: 104.497
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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:  
   

Ions/Tautomers related molecules: no related molecules available.