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


PUBCHEM-ZINC01117705

 MMsINC code: MMs02773377
Type: Neutral
Formula: C25H26N2O5S
SMILES:   S(=O)(=O)(N(Cc1ccc(cc1)C)c1ccc(cc1)C(=O)Nc1cccc(C(OC)=O)c1C)
C
InChI:   InChI=1/C25H26N2O5S/c1-17-8-10-19(11-9-17)16-27(33(4,30)31)21-14-12-20(13-15-21)24(28)26-23-7-5-6-22(18(23)2)25(29)32-3/h5-15H,16H2,1-4H3,(H,26,28)

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)=134.512 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 466.558 g/mol  logS: -6.05245  SlogP: 4.57494  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102781  Sterimol/B1: 1.99212  Sterimol/B2: 3.72789  Sterimol/B3: 6.56709
  Sterimol/B4: 8.72703  Sterimol/L: 20.2486 
 
 Surface and Volume Properties
  Accessible surface: 740.671  Positive charged surface: 442.694  Negative charged surface: 297.977  Volume: 437.375
  Hydrophobic surface: 609.402  Hydrophilic surface: 131.269
 
 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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.