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ASINEX-ZINC04966946

 MMsINC code: MMs00415771
Type: Neutral
Formula: C12H13FN2OS2
SMILES:   S1CCN=C1SCC(=O)NCc1ccc(F)cc1
InChI:   InChI=1/C12H13FN2OS2/c13-10-3-1-9(2-4-10)7-15-11(16)8-18-12-14-5-6-17-12/h1-4H,5-8H2,(H,15,16)

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Potential Energy
Epot(MMFF94)=31.1408 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.379 g/mol  logS: -4.49663  SlogP: 2.5443  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0521025  Sterimol/B1: 2.42177  Sterimol/B2: 3.73445  Sterimol/B3: 4.3487
  Sterimol/B4: 4.81787  Sterimol/L: 16.6789 
 
 Surface and Volume Properties
  Accessible surface: 516.573  Positive charged surface: 301.478  Negative charged surface: 215.095  Volume: 252.25
  Hydrophobic surface: 365.638  Hydrophilic surface: 150.935
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.