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


PUBCHEM-ZINC01907184

 MMsINC code: MMs02829362
Type: Neutral
Formula: C24H20N6O4S
SMILES:   S(=O)(=O)(c1c2nc(C#N)c(nc2n(CCc2cc(OC)c(OC)cc2)c1N)C#N)c1ccc
cc1
InChI:   InChI=1/C24H20N6O4S/c1-33-19-9-8-15(12-20(19)34-2)10-11-30-23(27)22(35(31,32)16-6-4-3-5-7-16)21-24(30)29-18(14-26)17(13-25)28-21/h3-9,12H,10-11,27H2,1-2H3

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)=143.195 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 488.528 g/mol  logS: -5.66545  SlogP: 3.11594  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0511487  Sterimol/B1: 2.95171  Sterimol/B2: 3.69882  Sterimol/B3: 4.62157
  Sterimol/B4: 10.4768  Sterimol/L: 18.9305 
 
 Surface and Volume Properties
  Accessible surface: 765.646  Positive charged surface: 450.156  Negative charged surface: 315.489  Volume: 433.625
  Hydrophobic surface: 488.61  Hydrophilic surface: 277.036
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 8  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.