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PUBCHEM-ZINC04616291

 MMsINC code: MMs03141983
Type: Neutral
Formula: C18H15FN2O2S2
SMILES:   s1ccc(C)c1\C=N\c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChI:   InChI=1/C18H15FN2O2S2/c1-13-10-11-24-18(13)12-20-15-6-8-17(9-7-15)25(22,23)21-16-4-2-14(19)3-5-16/h2-12,21H,1H3/b20-12+

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Potential Energy
Epot(MMFF94)=50.4605 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 374.46 g/mol  logS: -5.23358  SlogP: 4.74702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0472194  Sterimol/B1: 3.4558  Sterimol/B2: 3.6646  Sterimol/B3: 4.09846
  Sterimol/B4: 6.46565  Sterimol/L: 17.2104 
 
 Surface and Volume Properties
  Accessible surface: 607.053  Positive charged surface: 288.677  Negative charged surface: 318.376  Volume: 326.875
  Hydrophobic surface: 508.258  Hydrophilic surface: 98.795
 
 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.