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


CHEMDIV-ZINC04766343

 MMsINC code: MMs00951496
Type: Neutral
Formula: C23H25ClN2O3S
SMILES:   Clc1ccccc1Cn1cc(S(=O)(=O)CC(=O)NC2CCCCC2)c2c1cccc2
InChI:   InChI=1/C23H25ClN2O3S/c24-20-12-6-4-8-17(20)14-26-15-22(19-11-5-7-13-21(19)26)30(28,29)16-23(27)25-18-9-2-1-3-10-18/h4-8,11-13,15,18H,1-3,9-10,14,16H2,(H,25,27)

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)=63.8979 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 444.983 g/mol  logS: -5.85538  SlogP: 4.832  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0789015  Sterimol/B1: 2.35068  Sterimol/B2: 4.09837  Sterimol/B3: 6.45083
  Sterimol/B4: 7.89755  Sterimol/L: 18.2269 
 
 Surface and Volume Properties
  Accessible surface: 703.416  Positive charged surface: 400.521  Negative charged surface: 298.425  Volume: 407.75
  Hydrophobic surface: 589.869  Hydrophilic surface: 113.547
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.