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


ENAMINE-ZINC03483517

 MMsINC code: MMs01467369
Type: Neutral
Formula: C22H19FN2O5
SMILES:   Fc1ccc(cc1)C(NC(=O)COC(=O)c1ccccc1NC(=O)c1occc1)C
InChI:   InChI=1/C22H19FN2O5/c1-14(15-8-10-16(23)11-9-15)24-20(26)13-30-22(28)17-5-2-3-6-18(17)25-21(27)19-7-4-12-29-19/h2-12,14H,13H2,1H3,(H,24,26)(H,25,27)/t14-/m0/s1

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)=90.4452 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.401 g/mol  logS: -6.05083  SlogP: 3.8007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0318276  Sterimol/B1: 2.25642  Sterimol/B2: 5.13917  Sterimol/B3: 5.24017
  Sterimol/B4: 7.74364  Sterimol/L: 18.7041 
 
 Surface and Volume Properties
  Accessible surface: 704.434  Positive charged surface: 377.9  Negative charged surface: 326.534  Volume: 372.75
  Hydrophobic surface: 574.25  Hydrophilic surface: 130.184
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.