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


ENAMINE-ZINC03331475

 MMsINC code: MMs01377009
Type: Neutral
Formula: C11H14F3NO2S
SMILES:   S(=O)(=O)(NC(CC)C)c1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C11H14F3NO2S/c1-3-8(2)15-18(16,17)10-6-4-5-9(7-10)11(12,13)14/h4-8,15H,3H2,1-2H3/t8-/m0/s1

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)=18.1413 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.298 g/mol  logS: -3.1356  SlogP: 3.0937  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.290109  Sterimol/B1: 2.45842  Sterimol/B2: 3.39692  Sterimol/B3: 5.02056
  Sterimol/B4: 6.51419  Sterimol/L: 11.4688 
 
 Surface and Volume Properties
  Accessible surface: 442.515  Positive charged surface: 201.135  Negative charged surface: 241.38  Volume: 230.875
  Hydrophobic surface: 229.4  Hydrophilic surface: 213.115
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.