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


ENAMINE-ZINC06583750

 MMsINC code: MMs01677491
Type: Neutral
Formula: C22H24F2N2O4
SMILES:   Fc1cccc(F)c1C(=O)NC(C(C)C)C(=O)Nc1ccc(cc1)C(OCCC)=O
InChI:   InChI=1/C22H24F2N2O4/c1-4-12-30-22(29)14-8-10-15(11-9-14)25-21(28)19(13(2)3)26-20(27)18-16(23)6-5-7-17(18)24/h5-11,13,19H,4,12H2,1-3H3,(H,25,28)(H,26,27)/t19-/m1/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)=92.6802 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 418.44 g/mol  logS: -5.75886  SlogP: 3.9247  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0477627  Sterimol/B1: 3.6158  Sterimol/B2: 3.75322  Sterimol/B3: 4.56053
  Sterimol/B4: 8.16355  Sterimol/L: 20.0715 
 
 Surface and Volume Properties
  Accessible surface: 714.907  Positive charged surface: 416.641  Negative charged surface: 298.266  Volume: 388.125
  Hydrophobic surface: 556.233  Hydrophilic surface: 158.674
 
 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.