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


ACROSORGANICS-ZINC02584298

 MMsINC code: MMs00014844
Type: Neutral
Formula: C8H3F6S-
SMILES:   [S-]c1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI:   InChI=1/C8H4F6S/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3,15H/p-1

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)=26.1199 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.166 g/mol  logS: -4.64976  SlogP: 4.253  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.057254  Sterimol/B1: 2.75965  Sterimol/B2: 2.76009  Sterimol/B3: 2.77505
  Sterimol/B4: 6.92939  Sterimol/L: 10.0712 
 
 Surface and Volume Properties
  Accessible surface: 365.558  Positive charged surface: 43.2893  Negative charged surface: 322.269  Volume: 162.625
  Hydrophobic surface: 90.7209  Hydrophilic surface: 274.8371
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 1  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


MMs00014845
ACROSORGANICS-ZINC02584298