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


ASINEX-ZINC00840801

 MMsINC code: MMs00187886
Type: Neutral
Formula: C18H20N2O4S
SMILES:   S(=O)(=O)(N1CCOCC1)c1ccc(NC(=O)c2ccc(cc2)C)cc1
InChI:   InChI=1/C18H20N2O4S/c1-14-2-4-15(5-3-14)18(21)19-16-6-8-17(9-7-16)25(22,23)20-10-12-24-13-11-20/h2-9H,10-13H2,1H3,(H,19,21)

Download   format file 
Drug Similarity  |  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)=88.2418 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.434 g/mol  logS: -4.03383  SlogP: 2.26822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0329437  Sterimol/B1: 2.86796  Sterimol/B2: 3.42979  Sterimol/B3: 4.13504
  Sterimol/B4: 4.77847  Sterimol/L: 19.078 
 
 Surface and Volume Properties
  Accessible surface: 604.008  Positive charged surface: 373.995  Negative charged surface: 230.013  Volume: 328.125
  Hydrophobic surface: 500.238  Hydrophilic surface: 103.77
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.