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ENAMINE-ZINC01171130

 MMsINC code: MMs01238808
Type: Neutral
Formula: C19H16FN3O2S2
SMILES:   S(=O)(=O)(Nc1ccc(F)cc1)c1ccc(NC(=S)Nc2ccccc2)cc1
InChI:   InChI=1/C19H16FN3O2S2/c20-14-6-8-17(9-7-14)23-27(24,25)18-12-10-16(11-13-18)22-19(26)21-15-4-2-1-3-5-15/h1-13,23H,(H2,21,22,26)

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Potential Energy
Epot(MMFF94)=140.152 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 401.486 g/mol  logS: -6.42551  SlogP: 4.4354  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0322721  Sterimol/B1: 2.58587  Sterimol/B2: 3.88685  Sterimol/B3: 4.92224
  Sterimol/B4: 5.2686  Sterimol/L: 19.4251 
 
 Surface and Volume Properties
  Accessible surface: 616.921  Positive charged surface: 307.338  Negative charged surface: 309.583  Volume: 344.625
  Hydrophobic surface: 450.272  Hydrophilic surface: 166.649
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 3  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.