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


ENAMINE-ZINC03477771

 MMsINC code: MMs01464360
Type: Neutral
Formula: C23H20ClNO6S
SMILES:   Clc1cc(ccc1)C(=O)COC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2OC)cc1
InChI:   InChI=1/C23H20ClNO6S/c1-25(20-8-3-4-9-22(20)30-2)32(28,29)19-12-10-16(11-13-19)23(27)31-15-21(26)17-6-5-7-18(24)14-17/h3-14H,15H2,1-2H3

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)=113.262 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 473.933 g/mol  logS: -6.38795  SlogP: 4.2134  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0389279  Sterimol/B1: 2.18476  Sterimol/B2: 2.72288  Sterimol/B3: 5.41064
  Sterimol/B4: 7.31034  Sterimol/L: 21.5664 
 
 Surface and Volume Properties
  Accessible surface: 709.269  Positive charged surface: 378.388  Negative charged surface: 330.881  Volume: 413.875
  Hydrophobic surface: 585.156  Hydrophilic surface: 124.113
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 5  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.