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


PUBCHEM-ZINC03072086

 MMsINC code: MMs02989344
Type: Neutral
Formula: C15H14ClNO4S
SMILES:   Clc1ccc(S(=O)(=O)Nc2cc(ccc2)C(OCC)=O)cc1
InChI:   InChI=1/C15H14ClNO4S/c1-2-21-15(18)11-4-3-5-13(10-11)17-22(19,20)14-8-6-12(16)7-9-14/h3-10,17H,2H2,1H3

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)=46.2687 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 339.799 g/mol  logS: -4.48995  SlogP: 3.3175  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131829  Sterimol/B1: 3.69923  Sterimol/B2: 3.97289  Sterimol/B3: 5.34616
  Sterimol/B4: 5.39805  Sterimol/L: 14.5127 
 
 Surface and Volume Properties
  Accessible surface: 556.558  Positive charged surface: 275.157  Negative charged surface: 281.401  Volume: 290
  Hydrophobic surface: 416.953  Hydrophilic surface: 139.605
 
 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.