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CHEMDIV-ZINC06809666

 MMsINC code: MMs01037317
Type: Neutral
Formula: C22H15FO5S
SMILES:   S1c2c(OC1=O)c(cc(OC(=O)COc1ccc(F)cc1)c2)-c1ccc(cc1)C
InChI:   InChI=1/C22H15FO5S/c1-13-2-4-14(5-3-13)18-10-17(11-19-21(18)28-22(25)29-19)27-20(24)12-26-16-8-6-15(23)7-9-16/h2-11H,12H2,1H3

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Potential Energy
Epot(MMFF94)=116.596 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 410.421 g/mol  logS: -8.15943  SlogP: 5.39002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0453507  Sterimol/B1: 2.36564  Sterimol/B2: 3.43936  Sterimol/B3: 3.94018
  Sterimol/B4: 9.38383  Sterimol/L: 20.2814 
 
 Surface and Volume Properties
  Accessible surface: 678.782  Positive charged surface: 329.986  Negative charged surface: 343.911  Volume: 357.25
  Hydrophobic surface: 519.963  Hydrophilic surface: 158.819
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.