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ASINEX-ZINC06679800

 MMsINC code: MMs00443819
Type: Neutral
Formula: C16H17FN2O4S2
SMILES:   s1c(C)c(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cc(F)ccc1
InChI:   InChI=1/C16H17FN2O4S2/c1-11-15(25(21,22)19-5-7-23-8-6-19)10-14(24-11)16(20)18-13-4-2-3-12(17)9-13/h2-4,9-10H,5-8H2,1H3,(H,18,20)

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Potential Energy
Epot(MMFF94)=78.5679 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 384.452 g/mol  logS: -3.97495  SlogP: 2.46882  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.033321  Sterimol/B1: 2.51055  Sterimol/B2: 2.69936  Sterimol/B3: 4.22303
  Sterimol/B4: 7.24854  Sterimol/L: 17.8869 
 
 Surface and Volume Properties
  Accessible surface: 581.84  Positive charged surface: 316.748  Negative charged surface: 265.092  Volume: 321
  Hydrophobic surface: 475.638  Hydrophilic surface: 106.202
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.