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PUBCHEM-ZINC06494371

 MMsINC code: MMs03767232
Type: Neutral
Formula: C19H17FN2O5S
SMILES:   S(O)(=O)(=O)c1cc(O)c2c(cc(NC(=O)NC(C)c3ccc(F)cc3)cc2)c1
InChI:   InChI=1/C19H17FN2O5S/c1-11(12-2-4-14(20)5-3-12)21-19(24)22-15-6-7-17-13(8-15)9-16(10-18(17)23)28(25,26)27/h2-11,23H,1H3,(H2,21,22,24)(H,25,26,27)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=51.9912 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.418 g/mol  logS: -5.38428  SlogP: 3.3437  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.046186  Sterimol/B1: 2.02222  Sterimol/B2: 5.20955  Sterimol/B3: 5.30495
  Sterimol/B4: 5.73919  Sterimol/L: 18.6167 
 
 Surface and Volume Properties
  Accessible surface: 642.089  Positive charged surface: 315.998  Negative charged surface: 315.277  Volume: 339.875
  Hydrophobic surface: 404.93  Hydrophilic surface: 237.159
 
 Pharmacophoric Properties
  Hydrogen bond donors: 6  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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


MMs03767233
PUBCHEM-ZINC06494371