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


NCID-ZINC01863428

 MMsINC code: MMs02374536
Type: Neutral
Formula: C7H6F2N2O2S2
SMILES:   S(=O)(=O)(NC(=S)N)c1ccc(F)cc1F
InChI:   InChI=1/C7H6F2N2O2S2/c8-4-1-2-6(5(9)3-4)15(12,13)11-7(10)14/h1-3H,(H3,10,11,14)

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)=-13.7766 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 252.265 g/mol  logS: -3.20073  SlogP: 0.4867  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.240044  Sterimol/B1: 3.1302  Sterimol/B2: 3.21959  Sterimol/B3: 4.78733
  Sterimol/B4: 4.8444  Sterimol/L: 10.8875 
 
 Surface and Volume Properties
  Accessible surface: 377.483  Positive charged surface: 156.596  Negative charged surface: 220.887  Volume: 178.625
  Hydrophobic surface: 181.21  Hydrophilic surface: 196.273
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.