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


PUBCHEM-ZINC00982950

 MMsINC code: MMs02748962
Type: Neutral
Formula: C24H24N2O5S
SMILES:   S(=O)(=O)(NCCc1ccccc1)c1ccc(OCC(=O)Nc2cc(ccc2)C(=O)C)cc1
InChI:   InChI=1/C24H24N2O5S/c1-18(27)20-8-5-9-21(16-20)26-24(28)17-31-22-10-12-23(13-11-22)32(29,30)25-15-14-19-6-3-2-4-7-19/h2-13,16,25H,14-15,17H2,1H3,(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)=94.8209 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 452.531 g/mol  logS: -5.41131  SlogP: 3.42767  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0283772  Sterimol/B1: 3.00768  Sterimol/B2: 4.67719  Sterimol/B3: 5.8518
  Sterimol/B4: 6.92269  Sterimol/L: 21.4268 
 
 Surface and Volume Properties
  Accessible surface: 774.005  Positive charged surface: 426.028  Negative charged surface: 347.976  Volume: 417.125
  Hydrophobic surface: 597.252  Hydrophilic surface: 176.753
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.