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Compounds

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  1. ALA5280062

    Name:
    (cis)-8-hydroxy-8-propyl-2-(4-(trifluoromethoxy)phenyl)-2-azaspiro[4.5]decaShow More⌵

    Mol. Formula:
    C19H24F3NO3

    M.W.:
    371.40

    Type:
    ---

    AlogP:
    4.41

    Polar Surface Area:
    49.77

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  2. ALA5291436

    Name:
    8-(2-chlorophenylsulfonyl)-2-(4-(trifluoromethoxy)phenyl)-2,8-diazaspiro[4.Show More⌵

    Mol. Formula:
    C21H20ClF3N2O4S

    M.W.:
    488.92

    Type:
    ---

    AlogP:
    4.45

    Polar Surface Area:
    66.92

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  3. ALA5290812

    Name:
    (trans)-8-hydroxy-8-propyl-2-(4-(trifluoromethoxy)phenyl)-2-azaspiro[4.5]deShow More⌵

    Mol. Formula:
    C19H24F3NO3

    M.W.:
    371.40

    Type:
    ---

    AlogP:
    4.41

    Polar Surface Area:
    49.77

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  4. ALA4101916

    Name:
    {2-[1-methoxy-2-oxo-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}piperidin-1-Show More⌵

    Mol. Formula:
    C20H22BF3N2O5

    M.W.:
    438.21

    4  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA4101769

    Name:
    N-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-{[5-(trifluoromShow More⌵

    Mol. Formula:
    C25H24BF3N2O4

    M.W.:
    484.28

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA4101186

    Name:
    N-[4-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-[4-(trShow More⌵

    Mol. Formula:
    C25H23BClF3N2O4

    M.W.:
    518.73

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA4100977

    Name:
    {2-[1-hydroxy-2-oxo-2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}piperidin-1-Show More⌵

    Mol. Formula:
    C19H20BF3N2O5

    M.W.:
    424.18

    4  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA4100819

    Name:
    N-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-[3-(trifluoromeShow More⌵

    Mol. Formula:
    C25H24BF3N2O5

    M.W.:
    500.28

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA4100232

    Name:
    {4-Fluoro-2-[({6-[4-(trifluoromethyl)phenoxy]pyridin-3-yl}carbonyl)amino]phShow More⌵

    Mol. Formula:
    C19H13BF4N2O4

    M.W.:
    420.13

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA4098231

    Name:
    N-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(4-{[5-(trifluoShow More⌵

    Mol. Formula:
    C26H26BF3N2O4

    M.W.:
    498.31

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA4093246

    Name:
    {2-[2-(4-{[5-(dimethylcarbamoyl)pyridin-2-yl]oxy}piperidin-1-yl)-2-oxoethylShow More⌵

    Mol. Formula:
    C21H26BN3O5

    M.W.:
    411.27

    4  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA4093111

    Name:
    N-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-[4-(trifluoromeShow More⌵

    Mol. Formula:
    C25H24BF3N2O4

    M.W.:
    484.28

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA4092488

    Name:
    {4-Methoxy-2-[({6-[4-(trifluoromethyl)phenoxy]pyridin-3-yl}carbonyl)amino]pShow More⌵

    Mol. Formula:
    C20H16BF3N2O5

    M.W.:
    432.16

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA4090644

    Name:
    6-{Methyl[4-(trifluoromethoxy)phenyl]amino}-N-[2-(4,4,5,5-tetramethyl-1,3,2Show More⌵

    Mol. Formula:
    C26H27BF3N3O4

    M.W.:
    513.33

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA4090518

    Name:
    N-Methyl-N-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-{[5-(tShow More⌵

    Mol. Formula:
    C26H26BF3N2O4

    M.W.:
    498.31

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA4085350

    Name:
    N-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-5-{[5-(trifluoromShow More⌵

    Mol. Formula:
    C24H23BF3N3O4

    M.W.:
    485.27

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  17. ALA4084740

    Name:
    {5-Fluoro-2-[({6-[4-(trifluoromethyl)phenoxy]pyridin-3-yl}carbonyl)amino]phShow More⌵

    Mol. Formula:
    C19H13BF4N2O4

    M.W.:
    420.13

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  18. ALA4082999

    Name:
    (2-{2-oxo-2-[4-({[5-(trifluoromethyl)pyridin-2-yl]oxy}methyl)piperidin-1-ylShow More⌵

    Mol. Formula:
    C20H22BF3N2O4

    M.W.:
    422.21

    4  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  19. ALA4082836

    Name:
    N-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-6-[4-(trifluoromeShow More⌵

    Mol. Formula:
    C25H24BF3N2O5

    M.W.:
    500.28

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  20. ALA4082697

    Name:
    N-[2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4-{[5-(trifluoromShow More⌵

    Mol. Formula:
    C25H24BF3N2O4

    M.W.:
    484.28

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
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