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


PUBCHEM-ZINC05161349

 MMsINC code: MMs03216796
Type: Neutral
Formula: C24H28N2O2S
SMILES:   S(OC(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1)(=O)c1ccccc1C
InChI:   InChI=1/C24H28N2O2S/c1-18-8-6-7-9-23(18)29(27)28-24(19-10-14-21(15-11-19)25(2)3)20-12-16-22(17-13-20)26(4)5/h6-17,24H,1-5H3/t29-/m0/s1

Download   format file 
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)=152.188 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.566 g/mol  logS: -5.4807  SlogP: 5.05132  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.214701  Sterimol/B1: 2.10119  Sterimol/B2: 2.6607  Sterimol/B3: 6.77141
  Sterimol/B4: 11.5802  Sterimol/L: 15.5884 
 
 Surface and Volume Properties
  Accessible surface: 718.445  Positive charged surface: 508.714  Negative charged surface: 209.731  Volume: 410.625
  Hydrophobic surface: 687.713  Hydrophilic surface: 30.732
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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: 1  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.