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  1. ALA2272433

    Name:
    3-(2-Chloropyridin-4-yl)-N-(4-hydroxyphenethyl)-3-p-tolylacrylamide

    Mol. Formula:
    C23H21ClN2O2

    M.W.:
    392.89

    Type:
    Small molecule

    AlogP:
    4.54

    Polar Surface Area:
    62.22

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  2. ALA2272432

    Name:
    3-(4-tert-Butylphenyl)-3-(2-chloropyridin-4-yl)-N-(3,4-dimethoxyphenethyl)aShow More

    Mol. Formula:
    C28H31ClN2O3

    M.W.:
    479.02

    Type:
    Small molecule

    AlogP:
    5.84

    Polar Surface Area:
    60.45

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  3. ALA2272431

    Name:
    3-(2-Chloropyridin-4-yl)-N-(3,4-dimethoxyphenethyl)-3-(2,4-dimethylphenyl)aShow More

    Mol. Formula:
    C26H27ClN2O3

    M.W.:
    450.97

    Type:
    Small molecule

    AlogP:
    5.16

    Polar Surface Area:
    60.45

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  4. ALA2272430

    Name:
    3-(2-Chloropyridin-4-yl)-N-(3,4-dimethoxyphenethyl)-3-(3,4-dimethylphenyl)aShow More

    Mol. Formula:
    C26H27ClN2O3

    M.W.:
    450.97

    Type:
    Small molecule

    AlogP:
    5.16

    Polar Surface Area:
    60.45

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  5. ALA2272429

    Name:
    3-(2-Chloropyridin-4-yl)-N-(3,4-dimethoxyphenethyl)-3-p-tolylacrylamide

    Mol. Formula:
    C25H25ClN2O3

    M.W.:
    436.94

    Type:
    Small molecule

    AlogP:
    4.85

    Polar Surface Area:
    60.45

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  6. ALA2272428

    Name:
    3-(2-Chloropyridin-4-yl)-3-(4-methoxyphenyl)-N-phenethylacrylamide

    Mol. Formula:
    C23H21ClN2O2

    M.W.:
    392.89

    Type:
    Small molecule

    AlogP:
    4.53

    Polar Surface Area:
    51.22

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  7. ALA2272427

    Name:
    3-(2-chloropyridin-4-yl)-3-(2,4-dimethylphenyl)-N-phenethylacrylamide

    Mol. Formula:
    C24H23ClN2O

    M.W.:
    390.91

    Type:
    Small molecule

    AlogP:
    5.14

    Polar Surface Area:
    41.99

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  8. ALA2272426

    Name:
    3-(2-Chloropyridin-4-yl)-3-(3,4-dimethylphenyl)-N-phenethylacrylamide

    Mol. Formula:
    C24H23ClN2O

    M.W.:
    390.91

    Type:
    Small molecule

    AlogP:
    5.14

    Polar Surface Area:
    41.99

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  9. ALA2272425

    Name:
    (Z)-3-(2-Chloropyridin-4-yl)-3-(4-ethylphenyl)-N-phenethylacrylamide

    Mol. Formula:
    C24H23ClN2O

    M.W.:
    390.91

    Type:
    Small molecule

    AlogP:
    5.09

    Polar Surface Area:
    41.99

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  10. ALA2272424

    Name:
    3-(2-Chloropyridin-4-yl)-N-phenethyl-3-p-tolylacrylamide

    Mol. Formula:
    C23H21ClN2O

    M.W.:
    376.89

    Type:
    Small molecule

    AlogP:
    4.83

    Polar Surface Area:
    41.99

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  11. ALA2272423

    Name:
    Lansiumamide B

    Mol. Formula:
    C18H17NO

    M.W.:
    263.34

    Type:
    Small molecule

    AlogP:
    3.83

    Polar Surface Area:
    20.31

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  12. ALA2272422

    Name:
    3-(3,4-Dimethylphenyl)-N-(4-hydroxyphenethyl)-3-(pyridin-4-yl)acrylamide

    Mol. Formula:
    C24H24N2O2

    M.W.:
    372.47

    Type:
    Small molecule

    AlogP:
    4.19

    Polar Surface Area:
    62.22

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  13. ALA2272421

    Name:
    N-(4-Hydroxyphenethyl)-3-(pyridin-4-yl)-3-p-tolylacrylamide

    Mol. Formula:
    C23H22N2O2

    M.W.:
    358.44

    Type:
    Small molecule

    AlogP:
    3.89

    Polar Surface Area:
    62.22

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  14. ALA2272420

    Name:
    N-(3,4-Dimethoxyphenethyl)-3-(3,4-dimethylphenyl)-3-(pyridin-4-yl)acrylamidShow More

    Mol. Formula:
    C26H28N2O3

    M.W.:
    416.52

    Type:
    Small molecule

    AlogP:
    4.51

    Polar Surface Area:
    60.45

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  15. ALA2272419

    Name:
    3-(3,4-Dimethylphenyl)-N-phenethyl-3-(pyridin-4-yl)acrylamide

    Mol. Formula:
    C24H24N2O

    M.W.:
    356.47

    Type:
    Small molecule

    AlogP:
    4.49

    Polar Surface Area:
    41.99

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  16. ALA2272418

    Name:
    3-(4-Ethylphenyl)-N-phenethyl-3-(pyridin-4-yl)acrylamide

    Mol. Formula:
    C24H24N2O

    M.W.:
    356.47

    Type:
    Small molecule

    AlogP:
    4.43

    Polar Surface Area:
    41.99

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  17. ALA2272417

    Name:
    N-phenethyl-3-(pyridin-4-yl)-3-p-tolylacrylamide

    Mol. Formula:
    C23H22N2O

    M.W.:
    342.44

    Type:
    Small molecule

    AlogP:
    4.18

    Polar Surface Area:
    41.99

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  18. ALA2272416

    Name:
    3-(4-tert-Butylphenyl)-3-(2-chloropyridin-4-yl)-N-(4-hydroxyphenethyl)acrylShow More

    Mol. Formula:
    C26H27ClN2O2

    M.W.:
    434.97

    Type:
    Small molecule

    AlogP:
    5.53

    Polar Surface Area:
    62.22

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  19. ALA2272415

    Name:
    3-(2-Chloropyridin-4-yl)-3-(2,4-dimethylphenyl)-N-(4-hydroxyphenethyl)acrylShow More

    Mol. Formula:
    C24H23ClN2O2

    M.W.:
    406.91

    Type:
    Small molecule

    AlogP:
    4.85

    Polar Surface Area:
    62.22

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  20. ALA2272414

    Name:
    3-(2-Chloropyridin-4-yl)-3-(3,4-dimethylphenyl)-N-(4-hydroxyphenethyl)acrylShow More

    Mol. Formula:
    C24H23ClN2O2

    M.W.:
    406.91

    Type:
    Small molecule

    AlogP:
    4.85

    Polar Surface Area:
    62.22

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
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