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


CHEMDIV-ZINC06808136

 MMsINC code: MMs01035615
Type: Neutral
Formula: C19H15FN2O3S
SMILES:   s1c(cc(NC(=O)Nc2ccc(F)cc2)c1C(OC)=O)-c1ccccc1
InChI:   InChI=1/C19H15FN2O3S/c1-25-18(23)17-15(11-16(26-17)12-5-3-2-4-6-12)22-19(24)21-14-9-7-13(20)8-10-14/h2-11H,1H3,(H2,21,22,24)

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)=79.8031 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.404 g/mol  logS: -6.13061  SlogP: 4.9848  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0143397  Sterimol/B1: 1.98113  Sterimol/B2: 2.65946  Sterimol/B3: 2.76838
  Sterimol/B4: 12.3011  Sterimol/L: 16.1908 
 
 Surface and Volume Properties
  Accessible surface: 625.373  Positive charged surface: 340.532  Negative charged surface: 284.842  Volume: 326
  Hydrophobic surface: 540.326  Hydrophilic surface: 85.047
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.