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


PUBCHEM-ZINC02657383

 MMsINC code: MMs02908391
Type: Neutral
Formula: C20H18FNO3S
SMILES:   S(CC(OCCOc1ccccc1F)=O)c1nc2c(cccc2)c(c1)C
InChI:   InChI=1/C20H18FNO3S/c1-14-12-19(22-17-8-4-2-6-15(14)17)26-13-20(23)25-11-10-24-18-9-5-3-7-16(18)21/h2-9,12H,10-11,13H2,1H3

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)=86.9234 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.432 g/mol  logS: -6.32787  SlogP: 4.39662  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0256937  Sterimol/B1: 3.41738  Sterimol/B2: 3.62292  Sterimol/B3: 3.85476
  Sterimol/B4: 6.91596  Sterimol/L: 19.2569 
 
 Surface and Volume Properties
  Accessible surface: 659.196  Positive charged surface: 372.554  Negative charged surface: 281.332  Volume: 340.625
  Hydrophobic surface: 562.24  Hydrophilic surface: 96.956
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.