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ASINEX-ZINC00205938

 MMsINC code: MMs00092113
Type: Neutral
Formula: C15H14FNO2S
SMILES:   S(=O)(=O)(N1CCc2c(C1)cccc2)c1ccc(F)cc1
InChI:   InChI=1/C15H14FNO2S/c16-14-5-7-15(8-6-14)20(18,19)17-10-9-12-3-1-2-4-13(12)11-17/h1-8H,9-11H2

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Potential Energy
Epot(MMFF94)=40.2981 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: 0.0571338  Sterimol/B1: 2.66347  Sterimol/B2: 3.94645  Sterimol/B3: 4.38669
  Sterimol/B4: 4.39422  Sterimol/L: 15.2346 
 
 Surface and Volume Properties
  Accessible surface: 483.384  Positive charged surface: 248.798  Negative charged surface: 234.585  Volume: 257.25
  Hydrophobic surface: 428.411  Hydrophilic surface: 54.973
 
 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.