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ENAMINE-ZINC04602351

 MMsINC code: MMs01550615
Type: Neutral
Formula: C19H18FN3O2S
SMILES:   S(CC(=O)N(Cc1ccccc1C)C)c1oc(nn1)-c1ccc(F)cc1
InChI:   InChI=1/C19H18FN3O2S/c1-13-5-3-4-6-15(13)11-23(2)17(24)12-26-19-22-21-18(25-19)14-7-9-16(20)10-8-14/h3-10H,11-12H2,1-2H3

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Potential Energy
Epot(MMFF94)=76.6016 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 371.436 g/mol  logS: -7.57843  SlogP: 4.20122  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0468728  Sterimol/B1: 2.55475  Sterimol/B2: 3.70554  Sterimol/B3: 4.72056
  Sterimol/B4: 5.59632  Sterimol/L: 20.8167 
 
 Surface and Volume Properties
  Accessible surface: 636.182  Positive charged surface: 342.01  Negative charged surface: 294.172  Volume: 342.125
  Hydrophobic surface: 499.22  Hydrophilic surface: 136.962
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.