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


ENAMINE-ZINC04925516

 MMsINC code: MMs01565086
Type: Neutral
Formula: C15H16N2O
SMILES:   Oc1ccccc1/C(=N/Nc1ccccc1C)/C
InChI:   InChI=1/C15H16N2O/c1-11-7-3-5-9-14(11)17-16-12(2)13-8-4-6-10-15(13)18/h3-10,17-18H,1-2H3/b16-12+

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)=90.4458 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 240.306 g/mol  logS: -3.11159  SlogP: 3.53672  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0094287  Sterimol/B1: 2.09245  Sterimol/B2: 2.34692  Sterimol/B3: 2.50937
  Sterimol/B4: 6.81975  Sterimol/L: 14.6484 
 
 Surface and Volume Properties
  Accessible surface: 477.398  Positive charged surface: 275.425  Negative charged surface: 201.973  Volume: 248
  Hydrophobic surface: 433.797  Hydrophilic surface: 43.601
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.