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


NCID-ZINC01576681

 MMsINC code: MMs02235215
Type: Neutral
Formula: C23H15NO2
SMILES:   O=C1C2=C(N(Cc3ccccc3)C(=O)c3c2cccc3)c2c1cccc2
InChI:   InChI=1/C23H15NO2/c25-22-18-12-6-5-11-17(18)21-20(22)16-10-4-7-13-19(16)23(26)24(21)14-15-8-2-1-3-9-15/h1-13H,14H2

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)=117.504 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.378 g/mol  logS: -6.11793  SlogP: 4.6736  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.123771  Sterimol/B1: 2.25054  Sterimol/B2: 3.25023  Sterimol/B3: 5.34283
  Sterimol/B4: 9.59754  Sterimol/L: 12.7664 
 
 Surface and Volume Properties
  Accessible surface: 548.538  Positive charged surface: 288.925  Negative charged surface: 259.613  Volume: 322.375
  Hydrophobic surface: 477.268  Hydrophilic surface: 71.27
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.