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ENAMINE-ZINC05262852

 MMsINC code: MMs01604203
Type: Neutral
Formula: C18H24FN3OS
SMILES:   S(CC(=O)NCc1ccc(F)cc1)c1nc(C)c(n1CC(C)C)C
InChI:   InChI=1/C18H24FN3OS/c1-12(2)10-22-14(4)13(3)21-18(22)24-11-17(23)20-9-15-5-7-16(19)8-6-15/h5-8,12H,9-11H2,1-4H3,(H,20,23)

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Potential Energy
Epot(MMFF94)=45.1296 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.474 g/mol  logS: -5.09923  SlogP: 4.23634  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0441739  Sterimol/B1: 2.10582  Sterimol/B2: 3.39663  Sterimol/B3: 4.15226
  Sterimol/B4: 8.80447  Sterimol/L: 18.2946 
 
 Surface and Volume Properties
  Accessible surface: 638.714  Positive charged surface: 411.172  Negative charged surface: 227.541  Volume: 343.375
  Hydrophobic surface: 519.377  Hydrophilic surface: 119.337
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.