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


IFLAB-ZINC00382030

MMsINC code: MMs01978331

Type: Neutral
Formula: C16H13FN2O4S
SMILES:   S1(=O)(=O)N(CCC(=O)Nc2ccccc2F)C(=O)c2c1cccc2
InChI:   InChI=1/C16H13FN2O4S/c17-12-6-2-3-7-13(12)18-15(20)9-10-19-16(21)11-5-1-4-8-14(11)24(19,22)23/h1-8H,9-10H2,(H,18,20)

Download   format file 
Drug Similarity  |  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)=49.3857 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 348.354 g/mol  logS: -3.9998  SlogP: 1.999  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0452979  Sterimol/B1: 2.18087  Sterimol/B2: 3.14988  Sterimol/B3: 4.64647
  Sterimol/B4: 5.35166  Sterimol/L: 18.4685 
 
 Surface and Volume Properties
  Accessible surface: 562.157  Positive charged surface: 274.746  Negative charged surface: 287.411  Volume: 290.25
  Hydrophobic surface: 419.092  Hydrophilic surface: 143.065
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: no related molecules available.