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


CHEMDIV-ZINC02920983

 MMsINC code: MMs00891307
Type: Neutral
Formula: C25H29FN2O4S2
SMILES:   S(c1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCC=1CCCCC=1)c1ccc(F)cc1
InChI:   InChI=1/C25H29FN2O4S2/c26-20-6-8-21(9-7-20)33-24-11-10-22(34(30,31)28-14-16-32-17-15-28)18-23(24)25(29)27-13-12-19-4-2-1-3-5-19/h4,6-11,18H,1-3,5,12-17H2,(H,27,29)

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)=96.7504 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 504.647 g/mol  logS: -6.84364  SlogP: 4.6181  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0625301  Sterimol/B1: 2.17655  Sterimol/B2: 3.20628  Sterimol/B3: 4.75696
  Sterimol/B4: 12.9642  Sterimol/L: 18.7157 
 
 Surface and Volume Properties
  Accessible surface: 788.894  Positive charged surface: 511.175  Negative charged surface: 277.719  Volume: 456.25
  Hydrophobic surface: 653.643  Hydrophilic surface: 135.251
 
 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: 1  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.