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ASINEX-ZINC00564142

 MMsINC code: MMs00139777
Type: Neutral
Formula: C16H11FN2OS2
SMILES:   S1CC(=O)N(C1c1ccc(F)cc1)c1sc2c(n1)cccc2
InChI:   InChI=1/C16H11FN2OS2/c17-11-7-5-10(6-8-11)15-19(14(20)9-21-15)16-18-12-3-1-2-4-13(12)22-16/h1-8,15H,9H2/t15-/m1/s1

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Potential Energy
Epot(MMFF94)=73.1971 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 330.407 g/mol  logS: -5.85216  SlogP: 4.3095  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105517  Sterimol/B1: 3.50853  Sterimol/B2: 3.79235  Sterimol/B3: 5.47692
  Sterimol/B4: 5.94635  Sterimol/L: 13.0303 
 
 Surface and Volume Properties
  Accessible surface: 512.681  Positive charged surface: 262.858  Negative charged surface: 249.823  Volume: 277.25
  Hydrophobic surface: 417.046  Hydrophilic surface: 95.635
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.