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


APOLLO-ZINC02569635

 MMsINC code: MMs00054464
Type: Neutral
Formula: C6H5F2NO2S
SMILES:   S(=O)(=O)(N)c1cc(F)ccc1F
InChI:   InChI=1/C6H5F2NO2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,(H2,9,10,11)

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)=-14.141 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 193.173 g/mol  logS: -2.20145  SlogP: 0.6122  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.096094  Sterimol/B1: 2.80669  Sterimol/B2: 3.56627  Sterimol/B3: 3.60462
  Sterimol/B4: 3.99864  Sterimol/L: 9.96882 
 
 Surface and Volume Properties
  Accessible surface: 324.468  Positive charged surface: 136.134  Negative charged surface: 188.334  Volume: 136.375
  Hydrophobic surface: 193.868  Hydrophilic surface: 130.6
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs00054465
APOLLO-ZINC02569635