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PUBCHEM-ZINC04843095

 MMsINC code: MMs03178261
Type: Neutral
Formula: C15H15FN2O4S2
SMILES:   s1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1F
InChI:   InChI=1/C15H15FN2O4S2/c16-12-3-1-2-4-13(12)17-15(19)14-9-11(10-23-14)24(20,21)18-5-7-22-8-6-18/h1-4,9-10H,5-8H2,(H,17,19)

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Potential Energy
Epot(MMFF94)=73.6382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.425 g/mol  logS: -3.66156  SlogP: 2.1604  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0493454  Sterimol/B1: 2.91605  Sterimol/B2: 3.54306  Sterimol/B3: 3.74965
  Sterimol/B4: 6.05875  Sterimol/L: 17.5078 
 
 Surface and Volume Properties
  Accessible surface: 567.896  Positive charged surface: 309.812  Negative charged surface: 258.084  Volume: 304.5
  Hydrophobic surface: 463.185  Hydrophilic surface: 104.711
 
 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.