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


CHEMBLOCK-ZINC01080304

 MMsINC code: MMs00515186
Type: Neutral
Formula: C20H20F3NO4
SMILES:   FC(F)(F)Oc1ccc(NC(=O)C(C(Cc2ccc(cc2)C)C(O)=O)C)cc1
InChI:   InChI=1/C20H20F3NO4/c1-12-3-5-14(6-4-12)11-17(19(26)27)13(2)18(25)24-15-7-9-16(10-8-15)28-20(21,22)23/h3-10,13,17H,11H2,1-2H3,(H,24,25)(H,26,27)/t13-,17+/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)=83.563 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 395.377 g/mol  logS: -4.9156  SlogP: 4.83159  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0575598  Sterimol/B1: 2.25712  Sterimol/B2: 3.46557  Sterimol/B3: 3.47783
  Sterimol/B4: 8.17241  Sterimol/L: 17.8206 
 
 Surface and Volume Properties
  Accessible surface: 632.195  Positive charged surface: 317.976  Negative charged surface: 314.219  Volume: 347.125
  Hydrophobic surface: 409.161  Hydrophilic surface: 223.034
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs00515187
CHEMBLOCK-ZINC01080304