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


PUBCHEM-ZINC02869186

 MMsINC code: MMs02947985
Type: Neutral
Formula: C19H21ClN2O4S
SMILES:   Clc1cc(S(=O)(=O)NC(C)c2ccccc2)ccc1OCC(=O)NCC=C
InChI:   InChI=1/C19H21ClN2O4S/c1-3-11-21-19(23)13-26-18-10-9-16(12-17(18)20)27(24,25)22-14(2)15-7-5-4-6-8-15/h3-10,12,14,22H,1,11,13H2,2H3,(H,21,23)/t14-/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)=47.1582 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.906 g/mol  logS: -4.77144  SlogP: 3.156  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0656511  Sterimol/B1: 4.12244  Sterimol/B2: 4.28389  Sterimol/B3: 5.05136
  Sterimol/B4: 7.35459  Sterimol/L: 19.102 
 
 Surface and Volume Properties
  Accessible surface: 685.691  Positive charged surface: 352.724  Negative charged surface: 332.967  Volume: 363.875
  Hydrophobic surface: 482.019  Hydrophilic surface: 203.672
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.