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


PUBCHEM-ZINC05850097

MMsINC code: MMs03416267

Type: Neutral
Formula: C20H15NO
SMILES:   o1c2c(nc1C(c1ccccc1)c1ccccc1)cccc2
InChI:   InChI=1/C20H15NO/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)20-21-17-13-7-8-14-18(17)22-20/h1-14,19H

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)=93.1753 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 285.346 g/mol  logS: -5.2921  SlogP: 5.008  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.234122  Sterimol/B1: 2.36278  Sterimol/B2: 3.31899  Sterimol/B3: 4.6813
  Sterimol/B4: 9.34507  Sterimol/L: 12.5741 
 
 Surface and Volume Properties
  Accessible surface: 534.615  Positive charged surface: 288.105  Negative charged surface: 246.51  Volume: 287.75
  Hydrophobic surface: 506.448  Hydrophilic surface: 28.167
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1

  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.