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


ACROSORGANICS-ZINC00056396

 MMsINC code: MMs00003088
Type: Neutral
Formula: C8H2F4O4
SMILES:   Fc1c(C(O)=O)c(F)c(F)c(C(O)=O)c1F
InChI:   InChI=1/C8H2F4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)

Download   format file 
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)=15.4264 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 238.092 g/mol  logS: -2.5036  SlogP: 1.6394  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0527964  Sterimol/B1: 2.9888  Sterimol/B2: 3.26941  Sterimol/B3: 3.87666
  Sterimol/B4: 3.87758  Sterimol/L: 11.7982 
 
 Surface and Volume Properties
  Accessible surface: 358.018  Positive charged surface: 129.878  Negative charged surface: 228.14  Volume: 155.25
  Hydrophobic surface: 170.716  Hydrophilic surface: 187.302
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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


MMs00003089
ACROSORGANICS-ZINC00056396