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


PUBCHEM-ZINC02728266

 MMsINC code: MMs02912669
Type: Neutral
Formula: C19H14Cl3NO4S2
SMILES:   Clc1cccc(N(S(=O)(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1C
InChI:   InChI=1/C19H14Cl3NO4S2/c1-13-18(22)3-2-4-19(13)23(28(24,25)16-9-5-14(20)6-10-16)29(26,27)17-11-7-15(21)8-12-17/h2-12H,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)=63.5635 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 490.815 g/mol  logS: -7.35102  SlogP: 5.53942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.146065  Sterimol/B1: 2.38727  Sterimol/B2: 5.33327  Sterimol/B3: 5.97884
  Sterimol/B4: 6.78196  Sterimol/L: 17.1628 
 
 Surface and Volume Properties
  Accessible surface: 632.097  Positive charged surface: 213.498  Negative charged surface: 418.599  Volume: 383.875
  Hydrophobic surface: 560.16  Hydrophilic surface: 71.937
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.