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


PUBCHEM-ZINC00933636

 MMsINC code: MMs02743692
Type: Neutral
Formula: C24H25FN2O4S2
SMILES:   S(=O)(=O)(N1CCCC1)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccccc2)cc
1
InChI:   InChI=1/C24H25FN2O4S2/c25-22-10-8-21(9-11-22)19-27(18-20-6-2-1-3-7-20)33(30,31)24-14-12-23(13-15-24)32(28,29)26-16-4-5-17-26/h1-3,6-15H,4-5,16-19H2

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)=55.9154 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 488.604 g/mol  logS: -5.59516  SlogP: 4.5341  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0719075  Sterimol/B1: 2.31281  Sterimol/B2: 3.77487  Sterimol/B3: 5.08613
  Sterimol/B4: 10.4278  Sterimol/L: 18.7958 
 
 Surface and Volume Properties
  Accessible surface: 701.552  Positive charged surface: 387.983  Negative charged surface: 313.569  Volume: 432.5
  Hydrophobic surface: 584.346  Hydrophilic surface: 117.206
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.