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PUBCHEM-ZINC04112814

 MMsINC code: MMs03092178
Type: Neutral
Formula: C17H19FN2O2S
SMILES:   S(=O)(=O)(N\C(=N/C(C)(C)C)\c1ccccc1)c1ccc(F)cc1
InChI:   InChI=1/C17H19FN2O2S/c1-17(2,3)19-16(13-7-5-4-6-8-13)20-23(21,22)15-11-9-14(18)10-12-15/h4-12H,1-3H3,(H,19,20)

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Potential Energy
Epot(MMFF94)=83.2565 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 334.415 g/mol  logS: -4.94934  SlogP: 3.3493  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.282267  Sterimol/B1: 4.13058  Sterimol/B2: 4.27926  Sterimol/B3: 4.98959
  Sterimol/B4: 5.81817  Sterimol/L: 13.4282 
 
 Surface and Volume Properties
  Accessible surface: 523.389  Positive charged surface: 278.2  Negative charged surface: 245.189  Volume: 305.875
  Hydrophobic surface: 420.228  Hydrophilic surface: 103.161
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.