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


CHEMDIV-ZINC03908333

 MMsINC code: MMs00920140
Type: Neutral
Formula: C19H17FN2O4
SMILES:   Fc1ccc(cc1)CNC(=O)c1noc(c1)-c1cc(OC)ccc1OC
InChI:   InChI=1/C19H17FN2O4/c1-24-14-7-8-17(25-2)15(9-14)18-10-16(22-26-18)19(23)21-11-12-3-5-13(20)6-4-12/h3-10H,11H2,1-2H3,(H,21,23)

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)=90.9039 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.353 g/mol  logS: -4.8891  SlogP: 3.6943  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0311912  Sterimol/B1: 2.47609  Sterimol/B2: 3.48344  Sterimol/B3: 3.89853
  Sterimol/B4: 8.0928  Sterimol/L: 19.4039 
 
 Surface and Volume Properties
  Accessible surface: 638.359  Positive charged surface: 403.931  Negative charged surface: 234.428  Volume: 322.375
  Hydrophobic surface: 539.166  Hydrophilic surface: 99.193
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.