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


PUBCHEM-ZINC01108774

 MMsINC code: MMs02771738
Type: Neutral
Formula: C26H23ClN2O4S
SMILES:   Clc1ccc(cc1)CN(S(=O)(=O)c1ccc(cc1)C)c1ccccc1C(=O)NCc1occc1
InChI:   InChI=1/C26H23ClN2O4S/c1-19-8-14-23(15-9-19)34(31,32)29(18-20-10-12-21(27)13-11-20)25-7-3-2-6-24(25)26(30)28-17-22-5-4-16-33-22/h2-16H,17-18H2,1H3,(H,28,30)

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)=103.464 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 494.999 g/mol  logS: -7.76401  SlogP: 6.09972  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108948  Sterimol/B1: 3.39589  Sterimol/B2: 4.93519  Sterimol/B3: 5.46842
  Sterimol/B4: 6.471  Sterimol/L: 19.3393 
 
 Surface and Volume Properties
  Accessible surface: 717.889  Positive charged surface: 350.556  Negative charged surface: 367.333  Volume: 447.625
  Hydrophobic surface: 646.018  Hydrophilic surface: 71.871
 
 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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.