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ASINEX-ZINC02899299

 MMsINC code: MMs00280586
Type: Neutral
Formula: C17H19FN2O4S
SMILES:   S(=O)(=O)(Nc1ccc(F)cc1)c1ccc(NC(OCCCC)=O)cc1
InChI:   InChI=1/C17H19FN2O4S/c1-2-3-12-24-17(21)19-14-8-10-16(11-9-14)25(22,23)20-15-6-4-13(18)5-7-15/h4-11,20H,2-3,12H2,1H3,(H,19,21)

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Potential Energy
Epot(MMFF94)=38.3208 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.413 g/mol  logS: -4.66481  SlogP: 3.9751  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0480801  Sterimol/B1: 3.83216  Sterimol/B2: 3.99476  Sterimol/B3: 4.48554
  Sterimol/B4: 6.16843  Sterimol/L: 19.0057 
 
 Surface and Volume Properties
  Accessible surface: 615.908  Positive charged surface: 364.681  Negative charged surface: 251.227  Volume: 324.125
  Hydrophobic surface: 452.105  Hydrophilic surface: 163.803
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.