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


PUBCHEM-ZINC05416982

 MMsINC code: MMs03262431
Type: Neutral
Formula: C19H15NO2
SMILES:   OC(=O)c1nc(cc(c1)-c1ccc(cc1)C)-c1ccccc1
InChI:   InChI=1/C19H15NO2/c1-13-7-9-14(10-8-13)16-11-17(15-5-3-2-4-6-15)20-18(12-16)19(21)22/h2-12H,1H3,(H,21,22)

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)=93.5084 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.334 g/mol  logS: -5.54454  SlogP: 4.42222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00305617  Sterimol/B1: 2.10369  Sterimol/B2: 2.51225  Sterimol/B3: 4.18402
  Sterimol/B4: 7.86389  Sterimol/L: 15.942 
 
 Surface and Volume Properties
  Accessible surface: 541.442  Positive charged surface: 267.823  Negative charged surface: 257.407  Volume: 286.5
  Hydrophobic surface: 424.228  Hydrophilic surface: 117.214
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs03262432
PUBCHEM-ZINC05416982