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


CHEMDIV-ZINC02938211

 MMsINC code: MMs00894241
Type: Neutral
Formula: C23H23FN2O3S
SMILES:   S(=O)(=O)(NC(Cc1ccccc1)C(=O)NCc1ccc(cc1)C)c1ccc(F)cc1
InChI:   InChI=1/C23H23FN2O3S/c1-17-7-9-19(10-8-17)16-25-23(27)22(15-18-5-3-2-4-6-18)26-30(28,29)21-13-11-20(24)12-14-21/h2-14,22,26H,15-16H2,1H3,(H,25,27)/t22-/m0/s1

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)=92.2886 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 426.512 g/mol  logS: -5.7616  SlogP: 3.60649  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148249  Sterimol/B1: 3.26813  Sterimol/B2: 5.23676  Sterimol/B3: 5.8028
  Sterimol/B4: 7.07532  Sterimol/L: 16.2033 
 
 Surface and Volume Properties
  Accessible surface: 692.458  Positive charged surface: 376.549  Negative charged surface: 315.909  Volume: 393.875
  Hydrophobic surface: 603.048  Hydrophilic surface: 89.41
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.