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


PUBCHEM-ZINC01065599

 MMsINC code: MMs02763301
Type: Neutral
Formula: C23H27ClN2O4S
SMILES:   Clc1cc(S(=O)(=O)NC2CCCCC2)ccc1OCC(=O)N1CCc2c(C1)cccc2
InChI:   InChI=1/C23H27ClN2O4S/c24-21-14-20(31(28,29)25-19-8-2-1-3-9-19)10-11-22(21)30-16-23(27)26-13-12-17-6-4-5-7-18(17)15-26/h4-7,10-11,14,19,25H,1-3,8-9,12-13,15-16H2

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)=63.7945 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 462.998 g/mol  logS: -5.49702  SlogP: 4.18107  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0839096  Sterimol/B1: 2.33241  Sterimol/B2: 4.73457  Sterimol/B3: 4.89379
  Sterimol/B4: 7.70195  Sterimol/L: 19.2238 
 
 Surface and Volume Properties
  Accessible surface: 732.136  Positive charged surface: 432.21  Negative charged surface: 299.926  Volume: 417.5
  Hydrophobic surface: 618.135  Hydrophilic surface: 114.001
 
 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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.