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CHEMBLOCK-ZINC04727323

 MMsINC code: MMs00574363
Type: Neutral
Formula: C13H11ClF3NO2S
SMILES:   Clc1c2c(sc1C(=O)NCCOCC(F)(F)F)cccc2
InChI:   InChI=1/C13H11ClF3NO2S/c14-10-8-3-1-2-4-9(8)21-11(10)12(19)18-5-6-20-7-13(15,16)17/h1-4H,5-7H2,(H,18,19)

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Potential Energy
Epot(MMFF94)=60.1766 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.749 g/mol  logS: -5.14428  SlogP: 4.2833  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0339109  Sterimol/B1: 3.39376  Sterimol/B2: 3.42434  Sterimol/B3: 3.88716
  Sterimol/B4: 5.42687  Sterimol/L: 15.8297 
 
 Surface and Volume Properties
  Accessible surface: 539.311  Positive charged surface: 232.803  Negative charged surface: 300.972  Volume: 264.125
  Hydrophobic surface: 388.96  Hydrophilic surface: 150.351
 
 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.