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


ASINEX-ZINC06681105

 MMsINC code: MMs00444737
Type: Neutral
Formula: C18H16N2O4S2
SMILES:   s1cc(S(=O)(=O)N(C)c2ccccc2)cc1C(=O)Nc1cc(O)ccc1
InChI:   InChI=1/C18H16N2O4S2/c1-20(14-7-3-2-4-8-14)26(23,24)16-11-17(25-12-16)18(22)19-13-6-5-9-15(21)10-13/h2-12,21H,1H3,(H,19,22)

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)=98.924 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.468 g/mol  logS: -4.53701  SlogP: 3.5311  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0374721  Sterimol/B1: 2.33121  Sterimol/B2: 3.78715  Sterimol/B3: 5.17169
  Sterimol/B4: 7.41622  Sterimol/L: 16.3595 
 
 Surface and Volume Properties
  Accessible surface: 607.849  Positive charged surface: 303.004  Negative charged surface: 304.845  Volume: 334.625
  Hydrophobic surface: 461.501  Hydrophilic surface: 146.348
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.