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


APOLLO-ZINC02387809

MMsINC code: MMs00052115

Type: Neutral
Formula: C11H9F3O3
SMILES:   FC(F)(F)c1cc(ccc1)C(=O)C(OCC)=O
InChI:   InChI=1/C11H9F3O3/c1-2-17-10(16)9(15)7-4-3-5-8(6-7)11(12,13)14/h3-6H,2H2,1H3

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)=71.8056 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.184 g/mol  logS: -3.48172  SlogP: 2.7627  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0202481  Sterimol/B1: 2.5166  Sterimol/B2: 2.75514  Sterimol/B3: 4.19304
  Sterimol/B4: 4.58099  Sterimol/L: 13.5459 
 
 Surface and Volume Properties
  Accessible surface: 433.287  Positive charged surface: 198.829  Negative charged surface: 234.457  Volume: 197.625
  Hydrophobic surface: 232.001  Hydrophilic surface: 201.286
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.