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


PUBCHEM-ZINC00693150

 MMsINC code: MMs02729494
Type: Neutral
Formula: C25H29FN2O4S2
SMILES:   s1ccc(C)c1CN(Cc1ccc(F)cc1)C(=O)CN(S(=O)(=O)c1ccc(OC)cc1)C(C)
C
InChI:   InChI=1/C25H29FN2O4S2/c1-18(2)28(34(30,31)23-11-9-22(32-4)10-12-23)17-25(29)27(16-24-19(3)13-14-33-24)15-20-5-7-21(26)8-6-20/h5-14,18H,15-17H2,1-4H3

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)=114.642 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 504.647 g/mol  logS: -5.86774  SlogP: 5.36512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.50458  Sterimol/B1: 3.68491  Sterimol/B2: 4.68898  Sterimol/B3: 7.20344
  Sterimol/B4: 10.0735  Sterimol/L: 14.7049 
 
 Surface and Volume Properties
  Accessible surface: 723.934  Positive charged surface: 409.307  Negative charged surface: 314.627  Volume: 460.75
  Hydrophobic surface: 623.73  Hydrophilic surface: 100.204
 
 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: 0  Violations of Lipinski's rule: 2  Oprea's lead like rule: 0
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.