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ENAMINE-ZINC03260878

 MMsINC code: MMs01336686
Type: Neutral
Formula: C23H22FN3O4S
SMILES:   S(=O)(=O)(N(CC(=O)Nc1ccccc1)CC(=O)Nc1ccccc1)c1ccc(F)cc1C
InChI:   InChI=1/C23H22FN3O4S/c1-17-14-18(24)12-13-21(17)32(30,31)27(15-22(28)25-19-8-4-2-5-9-19)16-23(29)26-20-10-6-3-7-11-20/h2-14H,15-16H2,1H3,(H,25,28)(H,26,29)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=132.559 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 455.51 g/mol  logS: -5.74675  SlogP: 3.40222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.115879  Sterimol/B1: 2.4459  Sterimol/B2: 3.01464  Sterimol/B3: 5.8602
  Sterimol/B4: 8.99976  Sterimol/L: 17.786 
 
 Surface and Volume Properties
  Accessible surface: 708.6  Positive charged surface: 382.54  Negative charged surface: 326.06  Volume: 405.875
  Hydrophobic surface: 601.583  Hydrophilic surface: 107.017
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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
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Ions/Tautomers related molecules: no related molecules available.