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


IFLAB-ZINC02454564

 MMsINC code: MMs01988749
Type: Ionized
Formula: C6H2F3O2S-
SMILES:   s1c(ccc1C(F)(F)F)C(=O)[O-]
InChI:   InChI=1/C6H3F3O2S/c7-6(8,9)4-2-1-3(12-4)5(10)11/h1-2H,(H,10,11)/p-1

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)=20.9882 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.14 g/mol  logS: -2.63087  SlogP: 1.4419  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0329505  Sterimol/B1: 2.50959  Sterimol/B2: 2.58761  Sterimol/B3: 2.58791
  Sterimol/B4: 4.74873  Sterimol/L: 10.2512 
 
 Surface and Volume Properties
  Accessible surface: 312.286  Positive charged surface: 62.5387  Negative charged surface: 249.747  Volume: 131.375
  Hydrophobic surface: 116.781  Hydrophilic surface: 195.505
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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:  
   
Parent related molecule:


MMs01988748
IFLAB-ZINC02454564