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ASINEX-ZINC04511335

 MMsINC code: MMs00345973
Type: Neutral
Formula: C15H14FNO2S
SMILES:   S(=O)(=O)(N1CCc2c(C1)cccc2)c1cc(F)ccc1
InChI:   InChI=1/C15H14FNO2S/c16-14-6-3-7-15(10-14)20(18,19)17-9-8-12-4-1-2-5-13(12)11-17/h1-7,10H,8-9,11H2

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Potential Energy
Epot(MMFF94)=36.9337 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 291.346 g/mol  logS: -3.54519  SlogP: 2.83907  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0569999  Sterimol/B1: 2.65385  Sterimol/B2: 3.96029  Sterimol/B3: 4.37595
  Sterimol/B4: 4.38227  Sterimol/L: 14.9861 
 
 Surface and Volume Properties
  Accessible surface: 483.827  Positive charged surface: 249.118  Negative charged surface: 234.709  Volume: 258.5
  Hydrophobic surface: 428.855  Hydrophilic surface: 54.972
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.