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


NCID-ZINC01634533

 MMsINC code: MMs02278519
Type: Neutral
Formula: C19H20N2O9S2
SMILES:   S(=O)(=O)(N(C=O)C)c1cc(ccc1OC)C(=O)c1cc(S(=O)(=O)N(C=O)C)c(O
C)cc1
InChI:   InChI=1/C19H20N2O9S2/c1-20(11-22)31(25,26)17-9-13(5-7-15(17)29-3)19(24)14-6-8-16(30-4)18(10-14)32(27,28)21(2)12-23/h5-12H,1-4H3

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)=71.1605 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 484.506 g/mol  logS: -3.98939  SlogP: 0.4886  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0357639  Sterimol/B1: 3.39957  Sterimol/B2: 4.15864  Sterimol/B3: 4.78702
  Sterimol/B4: 5.66914  Sterimol/L: 17.9692 
 
 Surface and Volume Properties
  Accessible surface: 670.683  Positive charged surface: 414.52  Negative charged surface: 256.163  Volume: 393.5
  Hydrophobic surface: 411.516  Hydrophilic surface: 259.167
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 7  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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.