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ENAMINE-ZINC05674846

 MMsINC code: MMs01631748
Type: Neutral
Formula: C19H19FN2O5S
SMILES:   S(=O)(=O)(N1CCN(CC1)C(=O)C1Oc2c(OC1)cccc2)c1cc(F)ccc1
InChI:   InChI=1/C19H19FN2O5S/c20-14-4-3-5-15(12-14)28(24,25)22-10-8-21(9-11-22)19(23)18-13-26-16-6-1-2-7-17(16)27-18/h1-7,12,18H,8-11,13H2/t18-/m0/s1

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Potential Energy
Epot(MMFF94)=99.3162 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.434 g/mol  logS: -3.85278  SlogP: 1.4986  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0778582  Sterimol/B1: 3.55343  Sterimol/B2: 4.03034  Sterimol/B3: 4.49978
  Sterimol/B4: 6.03034  Sterimol/L: 18.3038 
 
 Surface and Volume Properties
  Accessible surface: 625.112  Positive charged surface: 353.748  Negative charged surface: 271.364  Volume: 342.625
  Hydrophobic surface: 519.708  Hydrophilic surface: 105.404
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: no related molecules available.