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ENAMINE-ZINC06788608

 MMsINC code: MMs01698283
Type: Neutral
Formula: C19H17FN2OS
SMILES:   S(CC(=O)Nc1cc(F)ccc1C)c1nc2c(cccc2)c(c1)C
InChI:   InChI=1/C19H17FN2OS/c1-12-7-8-14(20)10-17(12)21-18(23)11-24-19-9-13(2)15-5-3-4-6-16(15)22-19/h3-10H,11H2,1-2H3,(H,21,23)

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Potential Energy
Epot(MMFF94)=83.7168 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.422 g/mol  logS: -6.23188  SlogP: 4.72154  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0126884  Sterimol/B1: 2.2408  Sterimol/B2: 3.10373  Sterimol/B3: 3.35633
  Sterimol/B4: 6.91737  Sterimol/L: 17.8527 
 
 Surface and Volume Properties
  Accessible surface: 595.516  Positive charged surface: 321.013  Negative charged surface: 269.333  Volume: 317.75
  Hydrophobic surface: 510.695  Hydrophilic surface: 84.821
 
 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.