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


CHEMDIV-ZINC06916782

 MMsINC code: MMs01061563
Type: Neutral
Formula: C12H9ClFNO4S2
SMILES:   Clc1cc(NS(=O)(=O)c2ccsc2C(OC)=O)ccc1F
InChI:   InChI=1/C12H9ClFNO4S2/c1-19-12(16)11-10(4-5-20-11)21(17,18)15-7-2-3-9(14)8(13)6-7/h2-6,15H,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)=47.7592 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.79 g/mol  logS: -4.26439  SlogP: 3.128  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.211857  Sterimol/B1: 2.33035  Sterimol/B2: 3.27203  Sterimol/B3: 5.57752
  Sterimol/B4: 7.60085  Sterimol/L: 12.874 
 
 Surface and Volume Properties
  Accessible surface: 496.949  Positive charged surface: 220.546  Negative charged surface: 276.402  Volume: 263.625
  Hydrophobic surface: 399.003  Hydrophilic surface: 97.946
 
 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.