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


ENAMINE-ZINC03268392

 MMsINC code: MMs01340972
Type: Neutral
Formula: C20H16ClNO4S
SMILES:   Clc1ccc(cc1)COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1
InChI:   InChI=1/C20H16ClNO4S/c21-17-10-6-15(7-11-17)14-26-20(23)16-8-12-19(13-9-16)27(24,25)22-18-4-2-1-3-5-18/h1-13,22H,14H2

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)=67.4269 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.87 g/mol  logS: -5.93064  SlogP: 4.7642  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.096898  Sterimol/B1: 2.49569  Sterimol/B2: 4.17395  Sterimol/B3: 4.70571
  Sterimol/B4: 7.52987  Sterimol/L: 18.3661 
 
 Surface and Volume Properties
  Accessible surface: 658.195  Positive charged surface: 310.486  Negative charged surface: 347.709  Volume: 352.25
  Hydrophobic surface: 533.489  Hydrophilic surface: 124.706
 
 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.