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


APOLLO-ZINC02567166

 MMsINC code: MMs00054294
Type: Neutral
Formula: C7H4FNS2
SMILES:   s1c2cc(F)ccc2nc1S
InChI:   InChI=1/C7H4FNS2/c8-4-1-2-5-6(3-4)11-7(10)9-5/h1-3H,(H,9,10)

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)=21.7332 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.246 g/mol  logS: -3.98469  SlogP: 2.7241  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.92022e-07  Sterimol/B1: 2.18324  Sterimol/B2: 2.18701  Sterimol/B3: 2.91631
  Sterimol/B4: 5.09286  Sterimol/L: 11.5224 
 
 Surface and Volume Properties
  Accessible surface: 336.91  Positive charged surface: 127.443  Negative charged surface: 209.468  Volume: 148.25
  Hydrophobic surface: 243.506  Hydrophilic surface: 93.404
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.