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


ENAMINE-ZINC03215663

 MMsINC code: MMs01309752
Type: Neutral
Formula: C21H23F3N2O2
SMILES:   FC(F)(F)c1ccc(cc1)C(=O)NC(C(N1CCOCC1)c1ccccc1)C
InChI:   InChI=1/C21H23F3N2O2/c1-15(25-20(27)17-7-9-18(10-8-17)21(22,23)24)19(16-5-3-2-4-6-16)26-11-13-28-14-12-26/h2-10,15,19H,11-14H2,1H3,(H,25,27)/t15-,19-/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)=125.203 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 392.421 g/mol  logS: -4.87204  SlogP: 4.3042  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.25305  Sterimol/B1: 2.26388  Sterimol/B2: 4.95077  Sterimol/B3: 7.11675
  Sterimol/B4: 7.12757  Sterimol/L: 14.4138 
 
 Surface and Volume Properties
  Accessible surface: 612.088  Positive charged surface: 340.95  Negative charged surface: 271.138  Volume: 357.25
  Hydrophobic surface: 453.477  Hydrophilic surface: 158.611
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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


MMs01309753
ENAMINE-ZINC03215663