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


NCID-ZINC01746750

 MMsINC code: MMs02360920
Type: Neutral
Formula: C23H21NO3
SMILES:   OC(=O)c1ccc(cc1)Cc1ccc(cc1)Cc1ccc(NC(=O)C)cc1
InChI:   InChI=1/C23H21NO3/c1-16(25)24-22-12-8-20(9-13-22)15-18-4-2-17(3-5-18)14-19-6-10-21(11-7-19)23(26)27/h2-13H,14-15H2,1H3,(H,24,25)(H,26,27)

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)=92.5654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.425 g/mol  logS: -5.79649  SlogP: 4.52474  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0498299  Sterimol/B1: 3.3262  Sterimol/B2: 3.35431  Sterimol/B3: 4.60895
  Sterimol/B4: 5.05049  Sterimol/L: 21.6045 
 
 Surface and Volume Properties
  Accessible surface: 649.02  Positive charged surface: 386.416  Negative charged surface: 262.604  Volume: 356.5
  Hydrophobic surface: 499.259  Hydrophilic surface: 149.761
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs02360921
NCID-ZINC01746750