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


MAYBRIDGE-ZINC01036847

MMsINC code: MMs02151933

Type: Neutral
Formula: C19H19NO2
SMILES:   O=C1c2c(-c3c1cccc3)cccc2C(=O)NCCC(C)C
InChI:   InChI=1/C19H19NO2/c1-12(2)10-11-20-19(22)16-9-5-8-14-13-6-3-4-7-15(13)18(21)17(14)16/h3-9,12H,10-11H2,1-2H3,(H,20,22)

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)=82.451 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.366 g/mol  logS: -5.94412  SlogP: 3.6739  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0161822  Sterimol/B1: 2.37738  Sterimol/B2: 3.27166  Sterimol/B3: 3.69807
  Sterimol/B4: 6.90434  Sterimol/L: 18.1914 
 
 Surface and Volume Properties
  Accessible surface: 555.233  Positive charged surface: 336.828  Negative charged surface: 207.454  Volume: 298
  Hydrophobic surface: 444.762  Hydrophilic surface: 110.471
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1

  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.