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PUBCHEM-ZINC00071909

 MMsINC code: MMs02631519
Type: Neutral
Formula: C14H13FN2O2S2
SMILES:   S(=O)(=O)(NC(=S)Nc1ccccc1F)c1ccc(cc1)C
InChI:   InChI=1/C14H13FN2O2S2/c1-10-6-8-11(9-7-10)21(18,19)17-14(20)16-13-5-3-2-4-12(13)15/h2-9H,1H3,(H2,16,17,20)

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Potential Energy
Epot(MMFF94)=95.0334 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.4 g/mol  logS: -5.27911  SlogP: 2.80942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132867  Sterimol/B1: 2.35039  Sterimol/B2: 3.92676  Sterimol/B3: 4.09769
  Sterimol/B4: 7.89319  Sterimol/L: 13.8788 
 
 Surface and Volume Properties
  Accessible surface: 508.414  Positive charged surface: 253.038  Negative charged surface: 255.375  Volume: 271.75
  Hydrophobic surface: 378.412  Hydrophilic surface: 130.002
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.