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


CHEMBLOCK-ZINC00099026

 MMsINC code: MMs00497438
Type: Neutral
Formula: C10H9F3O5S2
SMILES:   s1c(C(OC)=O)c(O)c(C(F)(F)F)c1SCC(OC)=O
InChI:   InChI=1/C10H9F3O5S2/c1-17-4(14)3-19-9-5(10(11,12)13)6(15)7(20-9)8(16)18-2/h15H,3H2,1-2H3

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)=53.637 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.303 g/mol  logS: -4.00871  SlogP: 2.8357  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0192664  Sterimol/B1: 2.44308  Sterimol/B2: 2.67378  Sterimol/B3: 4.13156
  Sterimol/B4: 6.78216  Sterimol/L: 14.7736 
 
 Surface and Volume Properties
  Accessible surface: 502.244  Positive charged surface: 286.02  Negative charged surface: 216.224  Volume: 241.5
  Hydrophobic surface: 267.669  Hydrophilic surface: 234.575
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.