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


ENAMINE-ZINC03245971

 MMsINC code: MMs01327645
Type: Neutral
Formula: C23H20Cl2N2O6S
SMILES:   Clc1ccc(S(=O)(=O)N(CC=C)c2ccc(Cl)cc2)cc1C(OCC(=O)NCc1occc1)=
O
InChI:   InChI=1/C23H20Cl2N2O6S/c1-2-11-27(17-7-5-16(24)6-8-17)34(30,31)19-9-10-21(25)20(13-19)23(29)33-15-22(28)26-14-18-4-3-12-32-18/h2-10,12-13H,1,11,14-15H2,(H,26,28)

Download   format file 
Drug Similarity  |  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)=87.6834 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 523.393 g/mol  logS: -7.16088  SlogP: 4.7073  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0391575  Sterimol/B1: 2.53082  Sterimol/B2: 3.24445  Sterimol/B3: 5.50912
  Sterimol/B4: 8.41131  Sterimol/L: 22.9434 
 
 Surface and Volume Properties
  Accessible surface: 753.628  Positive charged surface: 344.352  Negative charged surface: 409.276  Volume: 441.625
  Hydrophobic surface: 576.919  Hydrophilic surface: 176.709
 
 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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.