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


PUBCHEM-ZINC00741748

 MMsINC code: MMs02735509
Type: Neutral
Formula: C23H24N2O4S
SMILES:   S(=O)(=O)(NC(Cc1ccccc1)C(=O)Nc1ccc(OC)cc1)c1ccc(cc1)C
InChI:   InChI=1/C23H24N2O4S/c1-17-8-14-21(15-9-17)30(27,28)25-22(16-18-6-4-3-5-7-18)23(26)24-19-10-12-20(29-2)13-11-19/h3-15,22,25H,16H2,1-2H3,(H,24,26)/t22-/m1/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)=93.0012 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.521 g/mol  logS: -5.57296  SlogP: 3.53189  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0992191  Sterimol/B1: 2.27438  Sterimol/B2: 4.09233  Sterimol/B3: 6.04788
  Sterimol/B4: 7.42302  Sterimol/L: 19.1888 
 
 Surface and Volume Properties
  Accessible surface: 667.372  Positive charged surface: 410.771  Negative charged surface: 256.601  Volume: 399.625
  Hydrophobic surface: 562.798  Hydrophilic surface: 104.574
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.