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


ENAMINE-ZINC03614961

 MMsINC code: MMs01524970
Type: Neutral
Formula: C20H23ClN2O4S
SMILES:   Clc1ccc(cc1S(=O)(=O)N1CCCCC1)C(=O)NCc1ccccc1OC
InChI:   InChI=1/C20H23ClN2O4S/c1-27-18-8-4-3-7-16(18)14-22-20(24)15-9-10-17(21)19(13-15)28(25,26)23-11-5-2-6-12-23/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,22,24)

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)=62.8007 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 422.933 g/mol  logS: -4.75129  SlogP: 3.7196  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.066726  Sterimol/B1: 2.2564  Sterimol/B2: 4.08431  Sterimol/B3: 4.53177
  Sterimol/B4: 7.59579  Sterimol/L: 19.1364 
 
 Surface and Volume Properties
  Accessible surface: 669.667  Positive charged surface: 416.531  Negative charged surface: 253.137  Volume: 376.5
  Hydrophobic surface: 570.106  Hydrophilic surface: 99.561
 
 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.