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


CHEMSTAR-ZINC00502329

 MMsINC code: MMs01075484
Type: Neutral
Formula: C19H21FN2O2
SMILES:   Fc1ccc(cc1)\C=N\NC(=O)Cc1ccc(OCC(C)C)cc1
InChI:   InChI=1/C19H21FN2O2/c1-14(2)13-24-18-9-5-15(6-10-18)11-19(23)22-21-12-16-3-7-17(20)8-4-16/h3-10,12,14H,11,13H2,1-2H3,(H,22,23)/b21-12+

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)=90.6425 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 328.387 g/mol  logS: -4.67573  SlogP: 3.55327  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0295576  Sterimol/B1: 3.34167  Sterimol/B2: 4.19251  Sterimol/B3: 4.57655
  Sterimol/B4: 4.86024  Sterimol/L: 20.9014 
 
 Surface and Volume Properties
  Accessible surface: 640.926  Positive charged surface: 402.322  Negative charged surface: 238.604  Volume: 324
  Hydrophobic surface: 520.594  Hydrophilic surface: 120.332
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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


MMs01075485
CHEMSTAR-ZINC00502329