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CHEMBLOCK-ZINC01423863

 MMsINC code: MMs00519924
Type: Neutral
Formula: C15H11F2N5OS
SMILES:   S(CC(=O)Nc1ccc(F)cc1)c1nnnn1-c1ccccc1F
InChI:   InChI=1/C15H11F2N5OS/c16-10-5-7-11(8-6-10)18-14(23)9-24-15-19-20-21-22(15)13-4-2-1-3-12(13)17/h1-8H,9H2,(H,18,23)

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Potential Energy
Epot(MMFF94)=89.6156 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 347.349 g/mol  logS: -5.26286  SlogP: 2.6713  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0329209  Sterimol/B1: 2.22025  Sterimol/B2: 2.68773  Sterimol/B3: 4.29358
  Sterimol/B4: 7.29923  Sterimol/L: 17.2074 
 
 Surface and Volume Properties
  Accessible surface: 557.738  Positive charged surface: 249.585  Negative charged surface: 274.957  Volume: 290.125
  Hydrophobic surface: 446.964  Hydrophilic surface: 110.774
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.