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  1. ALA5268975

    Name:
    2-((E)-4-hydroxy-3-methoxybenzylidene)-5-((E)-2-(trifluoromethyl)benzylidenShow More

    Mol. Formula:
    C21H17F3O3

    M.W.:
    374.36

    Type:
    ---

    AlogP:
    5.25

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  2. ALA5282465

    Name:
    ethyl (2Z)-7-methyl-2-{[4-(morpholin-4-yl)phenyl]methylidene}-3-oxo-5-(thioShow More

    Mol. Formula:
    C25H27N3O4S2

    M.W.:
    497.64

    Type:
    ---

    AlogP:
    3.97

    Polar Surface Area:
    71.11

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  3. ALA5285518

    Name:
    2-((E)-4-(3-(dimethylamino)propoxy)benzylidene)-5-((E)-2-(trifluoromethyl)bShow More

    Mol. Formula:
    C25H26F3NO2

    M.W.:
    429.48

    Type:
    ---

    AlogP:
    5.87

    Polar Surface Area:
    29.54

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  4. ALA5289737

    Name:
    ethyl (2Z)-7-methyl-2-{[4-(morpholin-4-yl)phenyl]methylidene}-3-oxo-5-[4-(pShow More

    Mol. Formula:
    C30H33N3O5S

    M.W.:
    547.68

    Type:
    ---

    AlogP:
    4.47

    Polar Surface Area:
    80.34

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  5. ALA5287859

    Name:
    4-benzyl-1,1,6-trimethyl-1,4-dihydro-3H-benzo[def]furo[3,2-b]carbazole-3,5(Show More

    Mol. Formula:
    C26H21NO3

    M.W.:
    395.46

    Type:
    ---

    AlogP:
    5.67

    Polar Surface Area:
    52.21

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  6. ALA5200699

    Name:
    2-amino-5-cyano-N-(4-hydroxyphenyl)-4-(4-methoxyphenyl)-6-oxo-1H-pyridine-3Show More

    Mol. Formula:
    C20H16N4O4

    M.W.:
    376.37

    Type:
    ---

    AlogP:
    2.46

    Polar Surface Area:
    141.23

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  7. ALA4103291

    Name:
    Madindolin A

    Mol. Formula:
    C23H29NO3

    M.W.:
    367.49

    Type:
    Small molecule

    AlogP:
    4.09

    Polar Surface Area:
    49.77

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  8. ALA4099527

    Name:
    N-(2-(4-Ethylphenylamino)benzo[d]oxazol-5-yl)-3,4-dimethoxybenzamide

    Mol. Formula:
    C24H23N3O4

    M.W.:
    417.47

    Type:
    Small molecule

    AlogP:
    5.40

    Polar Surface Area:
    85.62

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  9. ALA4098865

    Name:
    N-(2-(4-Ethylphenylamino)benzo[d]oxazol-5-yl)-2-phenylacetamide

    Mol. Formula:
    C23H21N3O2

    M.W.:
    371.44

    Type:
    Small molecule

    AlogP:
    5.32

    Polar Surface Area:
    67.16

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  10. ALA4091259

    Name:
    N-(2-(4-Ethylphenylamino)benzo[d]oxazol-5-yl)-4-heptylbenzamide

    Mol. Formula:
    C29H33N3O2

    M.W.:
    455.60

    Type:
    Small molecule

    AlogP:
    7.90

    Polar Surface Area:
    67.16

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  11. ALA4089112

    Name:
    N-(2-(4-Ethylphenylamino)benzo[d]oxazol-5-yl)-2-ethoxybenzamide

    Mol. Formula:
    C24H23N3O3

    M.W.:
    401.47

    Type:
    Small molecule

    AlogP:
    5.78

    Polar Surface Area:
    76.39

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  12. ALA4084721

    Name:
    N-(2-(4-Ethylphenylamino)benzo[d]oxazol-5-yl)-4-ethylbenzamide

    Mol. Formula:
    C24H23N3O2

    M.W.:
    385.47

    Type:
    Small molecule

    AlogP:
    5.95

    Polar Surface Area:
    67.16

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  13. ALA4081512

    Name:
    N-(2-(4-Ethylphenylamino)benzo[d]oxazol-5-yl)-4-tertbutylbenzamide

    Mol. Formula:
    C26H27N3O2

    M.W.:
    413.52

    Type:
    Small molecule

    AlogP:
    6.68

    Polar Surface Area:
    67.16

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  14. ALA4080826

    Name:
    N-(2-(4-ethylphenylamino)benzo[d]oxazol-5-yl)benzamide

    Mol. Formula:
    C22H19N3O2

    M.W.:
    357.41

    Type:
    Small molecule

    AlogP:
    5.39

    Polar Surface Area:
    67.16

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  15. ALA4077563

    Name:
    N-(2-(4-Ethylphenylamino)benzo[d]oxazol-5-yl)-3-(chloromethyl)benzamide

    Mol. Formula:
    C23H20ClN3O2

    M.W.:
    405.89

    Type:
    Small molecule

    AlogP:
    6.12

    Polar Surface Area:
    67.16

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  16. ALA4077382

    Name:
    N-(2-(4-Ethylphenylamino)benzo[d]oxazol-5-yl)-3,4-dichlorobenzamide

    Mol. Formula:
    C22H17Cl2N3O2

    M.W.:
    426.30

    Type:
    Small molecule

    AlogP:
    6.69

    Polar Surface Area:
    67.16

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  17. ALA4076044

    Name:
    N-(2-(4-Ethylphenylamino)benzo[d]oxazol-5-yl)-2-chloro-4-nitrobenzamide

    Mol. Formula:
    C22H17ClN4O4

    M.W.:
    436.86

    Type:
    Small molecule

    AlogP:
    5.95

    Polar Surface Area:
    110.30

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  18. ALA4075716

    Name:
    N-(2-(4-Ethylphenylamino)benzo[d]oxazol-5-yl)-3,4,5-trimethoxybenzamide

    Mol. Formula:
    C25H25N3O5

    M.W.:
    447.49

    Type:
    Small molecule

    AlogP:
    5.41

    Polar Surface Area:
    94.85

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  19. ALA4075468

    Name:
    N-(2-(4-Ethylphenylamino)benzo[d]oxazol-5-yl)-3-fluoro-5-(trifluoromethyl)bShow More

    Mol. Formula:
    C23H17F4N3O2

    M.W.:
    443.40

    Type:
    Small molecule

    AlogP:
    6.54

    Polar Surface Area:
    67.16

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  20. ALA4071513

    Name:
    N-(2-(4-Ethylphenylamino)benzo[d]oxazol-5-yl)-2-chloro-5-nitrobenzamide

    Mol. Formula:
    C22H17ClN4O4

    M.W.:
    436.86

    Type:
    Small molecule

    AlogP:
    5.95

    Polar Surface Area:
    110.30

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
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