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


OTAVA-ZINC00959107

 MMsINC code: MMs02558448
Type: Neutral
Formula: C20H16F3NO2S2
SMILES:   S(c1ccc(cc1NS(=O)(=O)c1ccc(cc1)C)C(F)(F)F)c1ccccc1
InChI:   InChI=1/C20H16F3NO2S2/c1-14-7-10-17(11-8-14)28(25,26)24-18-13-15(20(21,22)23)9-12-19(18)27-16-5-3-2-4-6-16/h2-13,24H,1H3

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)=82.6594 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 423.479 g/mol  logS: -7.42245  SlogP: 6.27732  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.214828  Sterimol/B1: 2.50341  Sterimol/B2: 2.7549  Sterimol/B3: 7.25171
  Sterimol/B4: 9.20569  Sterimol/L: 15.1906 
 
 Surface and Volume Properties
  Accessible surface: 624.048  Positive charged surface: 268.168  Negative charged surface: 355.88  Volume: 354
  Hydrophobic surface: 429.702  Hydrophilic surface: 194.346
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.