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


ENAMINE-ZINC03325319

 MMsINC code: MMs01372758
Type: Neutral
Formula: C15H11F4NO4S
SMILES:   S(=O)(=O)(NC(CC(O)=O)c1ccc(F)cc1)c1ccc(F)c(F)c1F
InChI:   InChI=1/C15H11F4NO4S/c16-9-3-1-8(2-4-9)11(7-13(21)22)20-25(23,24)12-6-5-10(17)14(18)15(12)19/h1-6,11,20H,7H2,(H,21,22)/t11-/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)=15.2901 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.314 g/mol  logS: -4.04844  SlogP: 2.8328  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.226554  Sterimol/B1: 2.97516  Sterimol/B2: 3.89683  Sterimol/B3: 5.09878
  Sterimol/B4: 6.91175  Sterimol/L: 13.7188 
 
 Surface and Volume Properties
  Accessible surface: 500.389  Positive charged surface: 224.458  Negative charged surface: 275.932  Volume: 283.625
  Hydrophobic surface: 348.373  Hydrophilic surface: 152.016
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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


MMs01372759
ENAMINE-ZINC03325319