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


ALFAAESAR-ZINC00157021

 MMsINC code: MMs00020258
Type: Neutral
Formula: C10H6F6O3
SMILES:   FC(F)(F)C(O)(C(F)(F)F)c1ccc(cc1)C(O)=O
InChI:   InChI=1/C10H6F6O3/c11-9(12,13)8(19,10(14,15)16)6-3-1-5(2-4-6)7(17)18/h1-4,19H,(H,17,18)

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)=79.3952 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.143 g/mol  logS: -3.29128  SlogP: 3.8483  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.119816  Sterimol/B1: 2.45696  Sterimol/B2: 3.80724  Sterimol/B3: 3.92836
  Sterimol/B4: 4.83925  Sterimol/L: 12.1046 
 
 Surface and Volume Properties
  Accessible surface: 398.745  Positive charged surface: 129.374  Negative charged surface: 269.371  Volume: 192.375
  Hydrophobic surface: 107.229  Hydrophilic surface: 291.516
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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


MMs00020259
ALFAAESAR-ZINC00157021