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


ASINEX-ZINC00857948

 MMsINC code: MMs00196083
Type: Neutral
Formula: C24H23FN2O5S
SMILES:   S(=O)(=O)(N(CC(=O)Nc1ccc(cc1)C(OCC)=O)c1ccccc1F)c1ccc(cc1)C
InChI:   InChI=1/C24H23FN2O5S/c1-3-32-24(29)18-10-12-19(13-11-18)26-23(28)16-27(22-7-5-4-6-21(22)25)33(30,31)20-14-8-17(2)9-15-20/h4-15H,3,16H2,1-2H3,(H,26,28)

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)=120.265 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 470.521 g/mol  logS: -6.59657  SlogP: 4.14482  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.123073  Sterimol/B1: 4.36018  Sterimol/B2: 4.93419  Sterimol/B3: 5.00382
  Sterimol/B4: 7.66394  Sterimol/L: 19.0906 
 
 Surface and Volume Properties
  Accessible surface: 731.58  Positive charged surface: 437.045  Negative charged surface: 294.535  Volume: 423.5
  Hydrophobic surface: 589.798  Hydrophilic surface: 141.782
 
 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: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules: no related molecules available.