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ENAMINE-ZINC05795578

MMsINC code: MMs01639675

Type: Neutral
Formula: C15H10F3N5OS
SMILES:   S(CC(=O)Nc1c(F)cccc1F)c1nnnn1-c1cc(F)ccc1
InChI:   InChI=1/C15H10F3N5OS/c16-9-3-1-4-10(7-9)23-15(20-21-22-23)25-8-13(24)19-14-11(17)5-2-6-12(14)18/h1-7H,8H2,(H,19,24)

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Potential Energy
Epot(MMFF94)=107.875 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.339 g/mol  logS: -5.55784  SlogP: 2.8104  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.051242  Sterimol/B1: 3.14278  Sterimol/B2: 3.67138  Sterimol/B3: 4.60714
  Sterimol/B4: 6.43376  Sterimol/L: 17.2381 
 
 Surface and Volume Properties
  Accessible surface: 572.003  Positive charged surface: 232.322  Negative charged surface: 305.743  Volume: 292.75
  Hydrophobic surface: 458.861  Hydrophilic surface: 113.142
 
 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.