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


CHEMDIV-ZINC06916797

 MMsINC code: MMs01061568
Type: Neutral
Formula: C12H10FNO4S2
SMILES:   s1ccc(S(=O)(=O)Nc2ccccc2F)c1C(OC)=O
InChI:   InChI=1/C12H10FNO4S2/c1-18-12(15)11-10(6-7-19-11)20(16,17)14-9-5-3-2-4-8(9)13/h2-7,14H,1H3

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)=53.7368 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.345 g/mol  logS: -3.5301  SlogP: 2.4746  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.188516  Sterimol/B1: 2.52841  Sterimol/B2: 2.64957  Sterimol/B3: 5.44621
  Sterimol/B4: 7.65501  Sterimol/L: 12.6658 
 
 Surface and Volume Properties
  Accessible surface: 475.478  Positive charged surface: 232.94  Negative charged surface: 242.539  Volume: 247.25
  Hydrophobic surface: 380.979  Hydrophilic surface: 94.499
 
 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.