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


ENAMINE-ZINC04924015

MMsINC code: MMs01564804

Type: Neutral
Formula: C18H15F3N2O5
SMILES:   Fc1c(F)c(F)ccc1NC(=O)CNC(=O)COC(=O)c1cccc(C)c1O
InChI:   InChI=1/C18H15F3N2O5/c1-9-3-2-4-10(17(9)26)18(27)28-8-14(25)22-7-13(24)23-12-6-5-11(19)15(20)16(12)21/h2-6,26H,7-8H2,1H3,(H,22,25)(H,23,24)

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)=105.092 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 396.321 g/mol  logS: -4.61907  SlogP: 2.02962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00756368  Sterimol/B1: 2.44312  Sterimol/B2: 2.96786  Sterimol/B3: 3.16822
  Sterimol/B4: 5.51417  Sterimol/L: 21.9497 
 
 Surface and Volume Properties
  Accessible surface: 643.836  Positive charged surface: 359.469  Negative charged surface: 284.367  Volume: 326.25
  Hydrophobic surface: 477.01  Hydrophilic surface: 166.826
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.