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


ENAMINE-ZINC05016873

 MMsINC code: MMs01574975
Type: Neutral
Formula: C11H10F2N2S2
SMILES:   s1c(cnc1N)Cc1ccc(SC(F)F)cc1
InChI:   InChI=1/C11H10F2N2S2/c12-10(13)16-8-3-1-7(2-4-8)5-9-6-15-11(14)17-9/h1-4,6,10H,5H2,(H2,14,15)

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)=31.9321 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.343 g/mol  logS: -3.63825  SlogP: 4.05067  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.140244  Sterimol/B1: 2.28684  Sterimol/B2: 3.29002  Sterimol/B3: 4.29656
  Sterimol/B4: 5.49786  Sterimol/L: 14.2819 
 
 Surface and Volume Properties
  Accessible surface: 449.68  Positive charged surface: 235.152  Negative charged surface: 214.529  Volume: 225.625
  Hydrophobic surface: 242.55  Hydrophilic surface: 207.13
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.