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


PUBCHEM-ZINC01202030

 MMsINC code: MMs02787043
Type: Neutral
Formula: C24H26N2O5S
SMILES:   S(=O)(=O)(N(CCc1ccccc1)CC(=O)Nc1cc(OC)ccc1)c1ccc(OC)cc1
InChI:   InChI=1/C24H26N2O5S/c1-30-21-11-13-23(14-12-21)32(28,29)26(16-15-19-7-4-3-5-8-19)18-24(27)25-20-9-6-10-22(17-20)31-2/h3-14,17H,15-16,18H2,1-2H3,(H,25,27)

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)=113.86 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 454.547 g/mol  logS: -5.225  SlogP: 3.57587  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.142195  Sterimol/B1: 2.13449  Sterimol/B2: 2.78983  Sterimol/B3: 6.99804
  Sterimol/B4: 10.699  Sterimol/L: 18.7875 
 
 Surface and Volume Properties
  Accessible surface: 739.388  Positive charged surface: 475.663  Negative charged surface: 263.725  Volume: 428
  Hydrophobic surface: 642.104  Hydrophilic surface: 97.284
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.