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


CHEMDIV-ZINC03023108

 MMsINC code: MMs00903464
Type: Neutral
Formula: C24H23FN2O3S
SMILES:   S(=O)(=O)(N1CCc2c(C1)cccc2)c1cc(C(=O)Nc2cccc(C)c2C)c(F)cc1
InChI:   InChI=1/C24H23FN2O3S/c1-16-6-5-9-23(17(16)2)26-24(28)21-14-20(10-11-22(21)25)31(29,30)27-13-12-18-7-3-4-8-19(18)15-27/h3-11,14H,12-13,15H2,1-2H3,(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)=98.3739 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 438.523 g/mol  logS: -6.14957  SlogP: 4.70821  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0613344  Sterimol/B1: 3.32239  Sterimol/B2: 3.55196  Sterimol/B3: 4.91059
  Sterimol/B4: 9.6651  Sterimol/L: 17.645 
 
 Surface and Volume Properties
  Accessible surface: 690.354  Positive charged surface: 380.32  Negative charged surface: 310.034  Volume: 399.875
  Hydrophobic surface: 607.203  Hydrophilic surface: 83.151
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.