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ENAMINE-ZINC03221692

 MMsINC code: MMs01313799
Type: Neutral
Formula: C19H17ClFNOS
SMILES:   Clc1c2c(sc1C(=O)Nc1c(cccc1C)C(C)C)cc(F)cc2
InChI:   InChI=1/C19H17ClFNOS/c1-10(2)13-6-4-5-11(3)17(13)22-19(23)18-16(20)14-8-7-12(21)9-15(14)24-18/h4-10H,1-3H3,(H,22,23)

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Potential Energy
Epot(MMFF94)=82.5896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 361.868 g/mol  logS: -7.38887  SlogP: 6.37792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0921849  Sterimol/B1: 2.33919  Sterimol/B2: 3.21762  Sterimol/B3: 5.26864
  Sterimol/B4: 8.13361  Sterimol/L: 16.1147 
 
 Surface and Volume Properties
  Accessible surface: 581.778  Positive charged surface: 276.98  Negative charged surface: 299.696  Volume: 327.625
  Hydrophobic surface: 523.428  Hydrophilic surface: 58.35
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.