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MAYBRIDGE-ZINC04377034

 MMsINC code: MMs02172611
Type: Neutral
Formula: C16H11F2NS3
SMILES:   S1S\C(=N\c2cc(F)c(F)cc2)\C(c2ccccc2)=C1SC
InChI:   InChI=1/C16H11F2NS3/c1-20-16-14(10-5-3-2-4-6-10)15(21-22-16)19-11-7-8-12(17)13(18)9-11/h2-9H,1H3/b19-15-

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Potential Energy
Epot(MMFF94)=78.2439 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.465 g/mol  logS: -8.12766  SlogP: 6.1216  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0863217  Sterimol/B1: 2.14252  Sterimol/B2: 2.72481  Sterimol/B3: 4.20954
  Sterimol/B4: 8.93457  Sterimol/L: 14.7986 
 
 Surface and Volume Properties
  Accessible surface: 539.174  Positive charged surface: 233.902  Negative charged surface: 305.272  Volume: 294.875
  Hydrophobic surface: 499.96  Hydrophilic surface: 39.214
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.