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


PUBCHEM-ZINC03464443

 MMsINC code: MMs03014631
Type: Neutral
Formula: C23H24N2O3S
SMILES:   S(=O)(=O)(NC(CC(=O)NCc1ccccc1)c1ccccc1)c1ccc(cc1)C
InChI:   InChI=1/C23H24N2O3S/c1-18-12-14-21(15-13-18)29(27,28)25-22(20-10-6-3-7-11-20)16-23(26)24-17-19-8-4-2-5-9-19/h2-15,22,25H,16-17H2,1H3,(H,24,26)/t22-/m0/s1

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)=41.5379 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.522 g/mol  logS: -5.28707  SlogP: 4.08302  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0716474  Sterimol/B1: 3.26283  Sterimol/B2: 4.70609  Sterimol/B3: 4.85
  Sterimol/B4: 5.71459  Sterimol/L: 19.9969 
 
 Surface and Volume Properties
  Accessible surface: 669.935  Positive charged surface: 403.497  Negative charged surface: 266.438  Volume: 394.75
  Hydrophobic surface: 563.233  Hydrophilic surface: 106.702
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.