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


ENAMINE-ZINC03354716

 MMsINC code: MMs01391915
Type: Neutral
Formula: C23H23N3O3S2
SMILES:   S(c1ncccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(cc1)C
InChI:   InChI=1/C23H23N3O3S2/c1-17-6-10-19(11-7-17)30-23-21(5-4-14-24-23)22(27)25-18-8-12-20(13-9-18)31(28,29)26-15-2-3-16-26/h4-14H,2-3,15-16H2,1H3,(H,25,27)

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)=96.5981 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 453.587 g/mol  logS: -6.19311  SlogP: 4.57802  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.046167  Sterimol/B1: 2.49648  Sterimol/B2: 3.86241  Sterimol/B3: 4.76834
  Sterimol/B4: 7.88047  Sterimol/L: 21.7817 
 
 Surface and Volume Properties
  Accessible surface: 733.607  Positive charged surface: 453.99  Negative charged surface: 279.617  Volume: 414.625
  Hydrophobic surface: 618.164  Hydrophilic surface: 115.443
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.