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


PUBCHEM-ZINC02886116

 MMsINC code: MMs02954045
Type: Neutral
Formula: C26H26N2O4S2
SMILES:   S(=O)(=O)(Nc1cccc(C)c1C)c1c2c(ccc1)c(S(=O)(=O)Nc1cccc(C)c1C)
ccc2
InChI:   InChI=1/C26H26N2O4S2/c1-17-9-5-13-23(19(17)3)27-33(29,30)25-15-7-12-22-21(25)11-8-16-26(22)34(31,32)28-24-14-6-10-18(2)20(24)4/h5-16,27-28H,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)=108.048 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 494.636 g/mol  logS: -7.85522  SlogP: 5.67508  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.392507  Sterimol/B1: 2.10775  Sterimol/B2: 4.13855  Sterimol/B3: 5.93275
  Sterimol/B4: 9.17493  Sterimol/L: 12.094 
 
 Surface and Volume Properties
  Accessible surface: 636.228  Positive charged surface: 331.489  Negative charged surface: 300.657  Volume: 446
  Hydrophobic surface: 498.537  Hydrophilic surface: 137.691
 
 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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.