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


PUBCHEM-ZINC06626305

 MMsINC code: MMs03828385
Type: Neutral
Formula: C14H14ClNO4S2
SMILES:   Clc1ccc(cc1)CC(NS(=O)(=O)c1sccc1)C(OC)=O
InChI:   InChI=1/C14H14ClNO4S2/c1-20-14(17)12(9-10-4-6-11(15)7-5-10)16-22(18,19)13-3-2-8-21-13/h2-8,12,16H,9H2,1H3/t12-/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)=46.8935 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.854 g/mol  logS: -4.1597  SlogP: 2.46407  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.212815  Sterimol/B1: 3.43958  Sterimol/B2: 4.09646  Sterimol/B3: 4.94259
  Sterimol/B4: 4.99286  Sterimol/L: 13.9521 
 
 Surface and Volume Properties
  Accessible surface: 515.281  Positive charged surface: 259.444  Negative charged surface: 255.838  Volume: 297.75
  Hydrophobic surface: 415.253  Hydrophilic surface: 100.028
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.