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ASINEX-ZINC00756527

 MMsINC code: MMs00157380
Type: Neutral
Formula: C17H19FN2O3S
SMILES:   S(=O)(=O)(N1CCN(CC1)c1ccc(F)cc1)c1ccc(OC)cc1
InChI:   InChI=1/C17H19FN2O3S/c1-23-16-6-8-17(9-7-16)24(21,22)20-12-10-19(11-13-20)15-4-2-14(18)3-5-15/h2-9H,10-13H2,1H3

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Potential Energy
Epot(MMFF94)=131.552 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 350.414 g/mol  logS: -3.51439  SlogP: 2.3452  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0561226  Sterimol/B1: 2.14854  Sterimol/B2: 2.95333  Sterimol/B3: 4.72974
  Sterimol/B4: 5.73612  Sterimol/L: 18.9552 
 
 Surface and Volume Properties
  Accessible surface: 565.705  Positive charged surface: 349.466  Negative charged surface: 216.239  Volume: 311.875
  Hydrophobic surface: 490.737  Hydrophilic surface: 74.968
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.