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


PUBCHEM-ZINC05977089

 MMsINC code: MMs03472511
Type: Neutral
Formula: C13H19ClN2O4S
SMILES:   Clc1cc(S(=O)(=O)NC(C(=O)NC(C)C)C)ccc1OC
InChI:   InChI=1/C13H19ClN2O4S/c1-8(2)15-13(17)9(3)16-21(18,19)10-5-6-12(20-4)11(14)7-10/h5-9,16H,1-4H3,(H,15,17)/t9-/m1/s1

Download   format file 
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)=37.4056 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.824 g/mol  logS: -3.16173  SlogP: 1.54  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0864839  Sterimol/B1: 2.16695  Sterimol/B2: 3.45408  Sterimol/B3: 5.95568
  Sterimol/B4: 6.15846  Sterimol/L: 16.5039 
 
 Surface and Volume Properties
  Accessible surface: 560.737  Positive charged surface: 319.585  Negative charged surface: 241.152  Volume: 294.25
  Hydrophobic surface: 383.565  Hydrophilic surface: 177.172
 
 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.