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NCID-ZINC01622499

 MMsINC code: MMs02270206
Type: Neutral
Formula: C24H20F2O4S2
SMILES:   S(=O)(=O)(\C=C\c1ccc(F)cc1)Cc1ccc(cc1)CS(=O)(=O)\C=C\c1ccc(F
)cc1
InChI:   InChI=1/C24H20F2O4S2/c25-23-9-5-19(6-10-23)13-15-31(27,28)17-21-1-2-22(4-3-21)18-32(29,30)16-14-20-7-11-24(26)12-8-20/h1-16H,17-18H2/b15-13+,16-14+

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.409 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 474.548 g/mol  logS: -6.22524  SlogP: 5.669  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0153001  Sterimol/B1: 3.27224  Sterimol/B2: 3.3205  Sterimol/B3: 3.6001
  Sterimol/B4: 4.81534  Sterimol/L: 26.1781 
 
 Surface and Volume Properties
  Accessible surface: 750.902  Positive charged surface: 347.719  Negative charged surface: 403.183  Volume: 409.875
  Hydrophobic surface: 640.392  Hydrophilic surface: 110.51
 
 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: 1  Oprea's lead like rule: 0
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Ions/Tautomers related molecules: no related molecules available.