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


PUBCHEM-ZINC03014059

 MMsINC code: MMs02979778
Type: Neutral
Formula: C19H15Cl2NO4S2
SMILES:   Clc1cc(S(=O)(=O)c2cc(S(=O)(=O)Nc3ccc(cc3)C)ccc2)ccc1Cl
InChI:   InChI=1/C19H15Cl2NO4S2/c1-13-5-7-14(8-6-13)22-28(25,26)17-4-2-3-15(11-17)27(23,24)16-9-10-18(20)19(21)12-16/h2-12,22H,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)=69.095 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 456.37 g/mol  logS: -6.95377  SlogP: 4.93542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.082942  Sterimol/B1: 2.85263  Sterimol/B2: 4.11389  Sterimol/B3: 4.27629
  Sterimol/B4: 6.57011  Sterimol/L: 19.0067 
 
 Surface and Volume Properties
  Accessible surface: 651.873  Positive charged surface: 255.668  Negative charged surface: 396.205  Volume: 368.5
  Hydrophobic surface: 515.009  Hydrophilic surface: 136.864
 
 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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.