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


ENAMINE-ZINC03237185

 MMsINC code: MMs01322591
Type: Neutral
Formula: C24H24FN3O4S
SMILES:   S(=O)(=O)(Nc1ccccc1C(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1C
InChI:   InChI=1/C24H24FN3O4S/c1-17-16-18(25)6-11-23(17)33(30,31)27-22-5-3-2-4-21(22)24(29)26-19-7-9-20(10-8-19)28-12-14-32-15-13-28/h2-11,16,27H,12-15H2,1H3,(H,26,29)

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)=185.43 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 469.537 g/mol  logS: -5.69105  SlogP: 4.02382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0464283  Sterimol/B1: 2.55299  Sterimol/B2: 2.55448  Sterimol/B3: 5.75666
  Sterimol/B4: 8.67808  Sterimol/L: 20.9682 
 
 Surface and Volume Properties
  Accessible surface: 711.685  Positive charged surface: 419.952  Negative charged surface: 291.733  Volume: 414.375
  Hydrophobic surface: 595.608  Hydrophilic surface: 116.077
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.