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ENAMINE-ZINC06540129

 MMsINC code: MMs01668941
Type: Neutral
Formula: C18H19FN2O2S
SMILES:   s1cccc1C(=O)N1CCC(CC1)C(=O)NCc1ccc(F)cc1
InChI:   InChI=1/C18H19FN2O2S/c19-15-5-3-13(4-6-15)12-20-17(22)14-7-9-21(10-8-14)18(23)16-2-1-11-24-16/h1-6,11,14H,7-10,12H2,(H,20,22)

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Potential Energy
Epot(MMFF94)=62.1539 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 346.426 g/mol  logS: -3.776  SlogP: 3.3222  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0471011  Sterimol/B1: 2.80422  Sterimol/B2: 3.89851  Sterimol/B3: 4.21329
  Sterimol/B4: 4.3808  Sterimol/L: 19.0278 
 
 Surface and Volume Properties
  Accessible surface: 594.929  Positive charged surface: 337.267  Negative charged surface: 257.661  Volume: 317.125
  Hydrophobic surface: 517.899  Hydrophilic surface: 77.03
 
 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.