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ENAMINE-ZINC03215531

 MMsINC code: MMs01309633
Type: Neutral
Formula: C24H20FN3O6S2
SMILES:   S(=O)(=O)(Nc1ccccc1C(=O)Nc1ccc(S(=O)(=O)NCc2occc2)cc1)c1ccc(
F)cc1
InChI:   InChI=1/C24H20FN3O6S2/c25-17-7-11-21(12-8-17)36(32,33)28-23-6-2-1-5-22(23)24(29)27-18-9-13-20(14-10-18)35(30,31)26-16-19-4-3-15-34-19/h1-15,26,28H,16H2,(H,27,29)

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Potential Energy
Epot(MMFF94)=73.8657 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 529.569 g/mol  logS: -6.66914  SlogP: 4.2167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0974782  Sterimol/B1: 2.40184  Sterimol/B2: 2.48603  Sterimol/B3: 7.5239
  Sterimol/B4: 8.82929  Sterimol/L: 19.9187 
 
 Surface and Volume Properties
  Accessible surface: 768.44  Positive charged surface: 349.604  Negative charged surface: 418.836  Volume: 438.25
  Hydrophobic surface: 569.288  Hydrophilic surface: 199.152
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  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.