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


PUBCHEM-ZINC02995042

 MMsINC code: MMs02977042
Type: Neutral
Formula: C20H22ClFN2O4S
SMILES:   Clc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)CC(=O)NCC2OCCC2)cc1
InChI:   InChI=1/C20H22ClFN2O4S/c21-16-5-9-19(10-6-16)29(26,27)24(13-15-3-7-17(22)8-4-15)14-20(25)23-12-18-2-1-11-28-18/h3-10,18H,1-2,11-14H2,(H,23,25)/t18-/m0/s1

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)=72.2997 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 440.923 g/mol  logS: -4.9632  SlogP: 3.2316  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0652346  Sterimol/B1: 2.30902  Sterimol/B2: 4.32733  Sterimol/B3: 5.15481
  Sterimol/B4: 8.52408  Sterimol/L: 18.0282 
 
 Surface and Volume Properties
  Accessible surface: 675.178  Positive charged surface: 384.377  Negative charged surface: 290.802  Volume: 382.625
  Hydrophobic surface: 586.946  Hydrophilic surface: 88.232
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.