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PUBCHEM-ZINC04457264

 MMsINC code: MMs03121946
Type: Neutral
Formula: C19H23FN2O4S
SMILES:   S(Oc1ccc(cc1)CN(C(C)C)C(=O)N(C)C)(=O)(=O)c1ccc(F)cc1
InChI:   InChI=1/C19H23FN2O4S/c1-14(2)22(19(23)21(3)4)13-15-5-9-17(10-6-15)26-27(24,25)18-11-7-16(20)8-12-18/h5-12,14H,13H2,1-4H3

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Potential Energy
Epot(MMFF94)=191.864 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 394.467 g/mol  logS: -4.20698  SlogP: 3.7518  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.100373  Sterimol/B1: 2.53314  Sterimol/B2: 3.30318  Sterimol/B3: 4.69759
  Sterimol/B4: 6.81279  Sterimol/L: 15.5249 
 
 Surface and Volume Properties
  Accessible surface: 593.682  Positive charged surface: 355.944  Negative charged surface: 237.738  Volume: 351.375
  Hydrophobic surface: 457.87  Hydrophilic surface: 135.812
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.