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


CHEMDIV-ZINC07005207

 MMsINC code: MMs01070669
Type: Neutral
Formula: C19H19ClN2O4S
SMILES:   Clc1ccc(cc1)CNS(=O)(=O)c1cc(ccc1OC)-c1onc(C)c1C
InChI:   InChI=1/C19H19ClN2O4S/c1-12-13(2)22-26-19(12)15-6-9-17(25-3)18(10-15)27(23,24)21-11-14-4-7-16(20)8-5-14/h4-10,21H,11H2,1-3H3

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)=64.4278 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.89 g/mol  logS: -5.29082  SlogP: 4.36534  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106033  Sterimol/B1: 2.03407  Sterimol/B2: 4.24851  Sterimol/B3: 6.2167
  Sterimol/B4: 6.73198  Sterimol/L: 19.1807 
 
 Surface and Volume Properties
  Accessible surface: 643.903  Positive charged surface: 325.208  Negative charged surface: 318.695  Volume: 355.75
  Hydrophobic surface: 536.341  Hydrophilic surface: 107.562
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.