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


PUBCHEM-ZINC00695185

 MMsINC code: MMs02729846
Type: Neutral
Formula: C24H27FN4O2S
SMILES:   S(=O)(=O)(N1CCN(CC1)c1nc(nc(C)c1Cc1cc(F)ccc1)C)Cc1ccccc1
InChI:   InChI=1/C24H27FN4O2S/c1-18-23(16-21-9-6-10-22(25)15-21)24(27-19(2)26-18)28-11-13-29(14-12-28)32(30,31)17-20-7-4-3-5-8-20/h3-10,15H,11-14,16-17H2,1-2H3

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)=132.634 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 454.57 g/mol  logS: -4.73078  SlogP: 3.74171  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0781799  Sterimol/B1: 2.72529  Sterimol/B2: 5.00436  Sterimol/B3: 5.80357
  Sterimol/B4: 7.06211  Sterimol/L: 19.0861 
 
 Surface and Volume Properties
  Accessible surface: 711.85  Positive charged surface: 436.915  Negative charged surface: 274.935  Volume: 426.375
  Hydrophobic surface: 633.495  Hydrophilic surface: 78.355
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.