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


ENAMINE-ZINC03349504

 MMsINC code: MMs01388661
Type: Neutral
Formula: C18H16N2O2S2
SMILES:   s1cccc1CNC(=O)c1ccc(cc1)C(=O)NCc1sccc1
InChI:   InChI=1/C18H16N2O2S2/c21-17(19-11-15-3-1-9-23-15)13-5-7-14(8-6-13)18(22)20-12-16-4-2-10-24-16/h1-10H,11-12H2,(H,19,21)(H,20,22)

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)=48.3566 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 356.47 g/mol  logS: -4.82628  SlogP: 4.2024  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.029963  Sterimol/B1: 2.75627  Sterimol/B2: 3.27912  Sterimol/B3: 4.4477
  Sterimol/B4: 8.22596  Sterimol/L: 16.8088 
 
 Surface and Volume Properties
  Accessible surface: 627.489  Positive charged surface: 300.968  Negative charged surface: 326.521  Volume: 325.75
  Hydrophobic surface: 531.695  Hydrophilic surface: 95.794
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.