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


ENAMINE-ZINC03208252

 MMsINC code: MMs01306739
Type: Neutral
Formula: C14H12FNO4S
SMILES:   S(=O)(=O)(Nc1ccc(F)cc1)c1cc(C(O)=O)c(cc1)C
InChI:   InChI=1/C14H12FNO4S/c1-9-2-7-12(8-13(9)14(17)18)21(19,20)16-11-5-3-10(15)4-6-11/h2-8,16H,1H3,(H,17,18)

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)=49.0775 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.317 g/mol  logS: -3.78502  SlogP: 2.63312  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.20115  Sterimol/B1: 2.49424  Sterimol/B2: 4.33158  Sterimol/B3: 4.47986
  Sterimol/B4: 7.04031  Sterimol/L: 12.5283 
 
 Surface and Volume Properties
  Accessible surface: 491.421  Positive charged surface: 251.416  Negative charged surface: 240.005  Volume: 255.375
  Hydrophobic surface: 324.693  Hydrophilic surface: 166.728
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs01306740
ENAMINE-ZINC03208252