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


ENAMINE-ZINC06935948

 MMsINC code: MMs01713298
Type: Neutral
Formula: C19H23NO2S2
SMILES:   S(c1cc(C)c(cc1)C)c1ccc(S(=O)(=O)NC2CCCC2)cc1
InChI:   InChI=1/C19H23NO2S2/c1-14-7-8-18(13-15(14)2)23-17-9-11-19(12-10-17)24(21,22)20-16-5-3-4-6-16/h7-13,16,20H,3-6H2,1-2H3

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)=45.9293 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.53 g/mol  logS: -5.97188  SlogP: 4.67554  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0466886  Sterimol/B1: 2.9002  Sterimol/B2: 3.21132  Sterimol/B3: 4.7414
  Sterimol/B4: 5.82429  Sterimol/L: 18.6346 
 
 Surface and Volume Properties
  Accessible surface: 615.825  Positive charged surface: 364.269  Negative charged surface: 251.555  Volume: 342.5
  Hydrophobic surface: 508.135  Hydrophilic surface: 107.69
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.