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


PHARMEK-ZINC01858079

 MMsINC code: MMs02623235
Type: Neutral
Formula: C34H31FN2O5S
SMILES:   S(Cc1ccc(F)cc1)c1ccccc1C(=O)Nc1cc(OC)c(OC)cc1Cc1nccc2c1cc(OC
)c(OC)c2
InChI:   InChI=1/C34H31FN2O5S/c1-39-29-16-22-13-14-36-28(26(22)18-31(29)41-3)15-23-17-30(40-2)32(42-4)19-27(23)37-34(38)25-7-5-6-8-33(25)43-20-21-9-11-24(35)12-10-21/h5-14,16-19H,15,20H2,1-4H3,(H,37,38)

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)=222.889 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 598.695 g/mol  logS: -9.21626  SlogP: 7.81007  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127413  Sterimol/B1: 2.51615  Sterimol/B2: 3.8867  Sterimol/B3: 8.04882
  Sterimol/B4: 9.06336  Sterimol/L: 20.4806 
 
 Surface and Volume Properties
  Accessible surface: 891.154  Positive charged surface: 614.16  Negative charged surface: 268.817  Volume: 555.75
  Hydrophobic surface: 818.979  Hydrophilic surface: 72.175
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.