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


PUBCHEM-ZINC01151426

 MMsINC code: MMs02779960
Type: Neutral
Formula: C19H14ClF3N2O4S2
SMILES:   Clc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cc(ccc3)C(F)(F)F)cc2)cc1
InChI:   InChI=1/C19H14ClF3N2O4S2/c20-14-4-8-17(9-5-14)30(26,27)24-15-6-10-18(11-7-15)31(28,29)25-16-3-1-2-13(12-16)19(21,22)23/h1-12,24-25H

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)=63.8899 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 490.91 g/mol  logS: -6.4994  SlogP: 5.2719  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121235  Sterimol/B1: 2.53952  Sterimol/B2: 4.47516  Sterimol/B3: 5.84936
  Sterimol/B4: 6.06909  Sterimol/L: 17.0592 
 
 Surface and Volume Properties
  Accessible surface: 659.867  Positive charged surface: 243.137  Negative charged surface: 416.73  Volume: 375.5
  Hydrophobic surface: 395.235  Hydrophilic surface: 264.632
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.