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Compounds

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  1. ALA5198482

    Name:
    Methyl ((4-(4-((2-cyclopropyl-1H-imidazol-1-yl)methyl)phenyl)-2-isobutylthiShow More⌵

    Mol. Formula:
    C22H26N4O4S2

    M.W.:
    474.61

    2  activity values

    2   unique targets

    Type:
    ---

    AlogP:
    4.18

    Polar Surface Area:
    103.18

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  2. ALA5205969

    Name:
    Butyl ((4-(4-((2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl)phShow More⌵

    Mol. Formula:
    C28H35N5O4S2

    M.W.:
    569.75

    2  activity values

    2   unique targets

    Type:
    ---

    AlogP:
    5.95

    Polar Surface Area:
    116.07

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  3. ALA5205556

    Name:
    Butyl ((2-isobutyl-4-(4-((2-(thiazol-2-yl)-1H-imidazol-1-yl)methyl)phenyl)tShow More⌵

    Mol. Formula:
    C25H29N5O4S3

    M.W.:
    559.74

    2  activity values

    2   unique targets

    Type:
    ---

    AlogP:
    5.59

    Polar Surface Area:
    116.07

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  4. ALA5205106

    Name:
    Butyl ((4-(4-((2-(tert-butyl)-1H-imidazol-1-yl)methyl)phenyl)-2-isobutylthiShow More⌵

    Mol. Formula:
    C26H36N4O4S2

    M.W.:
    532.73

    12  activity values

    9   unique targets

    Type:
    ---

    AlogP:
    5.77

    Polar Surface Area:
    103.18

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  5. ALA5200682

    Name:
    Methyl ((2-isobutyl-4-(4-((2-isopropyl-1H-imidazol-1-yl)methyl)phenyl)thiazShow More⌵

    Mol. Formula:
    C22H28N4O4S2

    M.W.:
    476.62

    2  activity values

    2   unique targets

    Type:
    ---

    AlogP:
    4.42

    Polar Surface Area:
    103.18

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  6. ALA5219534

    Name:
    3-hydroxy-4-[2-[4-[[[7-(trifluoromethyl)tetralin-5-yl]amino]methyl]phenyl]pShow More⌵

    Mol. Formula:
    C28H22F3NO3

    M.W.:
    477.48

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    5.83

    Polar Surface Area:
    66.40

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  7. ALA5195051

    Name:
    Butyl ((4-(4-((2-cyclopropyl-1H-imidazol-1-yl)methyl)phenyl)-2-isobutylthiaShow More⌵

    Mol. Formula:
    C25H32N4O4S2

    M.W.:
    516.69

    3  activity values

    3   unique targets

    Type:
    ---

    AlogP:
    5.35

    Polar Surface Area:
    103.18

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  8. ALA5194914

    Name:
    Methyl ((4-(4-((2-isopropyl-1H-imidazol-1-yl)methyl)phenyl)-2-propylthiazolShow More⌵

    Mol. Formula:
    C21H26N4O4S2

    M.W.:
    462.60

    2  activity values

    2   unique targets

    Type:
    ---

    AlogP:
    4.18

    Polar Surface Area:
    103.18

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  9. ALA5193845

    Name:
    Butyl ((4-(4-((2-isopropyl-1H-imidazol-1-yl)methyl)phenyl)-2-propylthiazol-Show More⌵

    Mol. Formula:
    C24H32N4O4S2

    M.W.:
    504.68

    2  activity values

    2   unique targets

    Type:
    ---

    AlogP:
    5.35

    Polar Surface Area:
    103.18

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  10. ALA5192639

    Name:
    Methyl ((4-(4-((2-(tert-butyl)-1H-imidazol-1-yl)methyl)phenyl)-2-propylthiaShow More⌵

    Mol. Formula:
    C22H28N4O4S2

    M.W.:
    476.62

    2  activity values

    2   unique targets

    Type:
    ---

    AlogP:
    4.35

    Polar Surface Area:
    103.18

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  11. ALA5192182

    Name:
    Methyl ((2-isobutyl-4-(4-(oxazol-2-ylmethyl)phenyl)thiazol-5-yl)sulfonyl)caShow More⌵

    Mol. Formula:
    C19H21N3O5S2

    M.W.:
    435.53

    2  activity values

    2   unique targets

    Type:
    ---

    AlogP:
    3.63

    Polar Surface Area:
    111.39

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  12. ALA5191326

    Name:
    Methyl ((4-(4-((2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl)pShow More⌵

    Mol. Formula:
    C25H29N5O4S2

    M.W.:
    527.67

    2  activity values

    2   unique targets

    Type:
    ---

    AlogP:
    4.78

    Polar Surface Area:
    116.07

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  13. ALA5186237

    Name:
    Butyl ((4-(4-((1H-imidazol-1-yl)methyl)phenyl)-2-propylthiazol-5-yl)sulfonyShow More⌵

    Mol. Formula:
    C21H26N4O4S2

    M.W.:
    462.60

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    4.22

    Polar Surface Area:
    103.18

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  14. ALA5185088

    Name:
    Butyl ((4-(4-((2-ethyl-5,7-dimethyl-3H-imidazo[4,5-b]pyridin-3-yl)methyl)phShow More⌵

    Mol. Formula:
    C29H37N5O4S2

    M.W.:
    583.78

    3  activity values

    3   unique targets

    Type:
    ---

    AlogP:
    6.20

    Polar Surface Area:
    116.07

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  15. ALA5183386

    Name:
    Butyl ((4-(4-((2-cyclopropyl-1H-imidazol-1-yl)methyl)phenyl)-2-propylthiazoShow More⌵

    Mol. Formula:
    C24H30N4O4S2

    M.W.:
    502.66

    2  activity values

    2   unique targets

    Type:
    ---

    AlogP:
    5.10

    Polar Surface Area:
    103.18

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  16. ALA5182186

    Name:
    Methyl ((4-(4-((2-(tert-butyl)-1H-imidazol-1-yl)methyl)phenyl)-2-isobutylthShow More⌵

    Mol. Formula:
    C23H30N4O4S2

    M.W.:
    490.65

    12  activity values

    9   unique targets

    Type:
    ---

    AlogP:
    4.60

    Polar Surface Area:
    103.18

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  17. ALA5181087

    Name:
    Butyl ((2-propyl-4-(4-((2-(thiazol-2-yl)-1H-imidazol-1-yl)methyl)phenyl)thiShow More⌵

    Mol. Formula:
    C24H27N5O4S3

    M.W.:
    545.71

    2  activity values

    2   unique targets

    Type:
    ---

    AlogP:
    5.35

    Polar Surface Area:
    116.07

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  18. ALA5179875

    Name:
    Butyl ((2-isobutyl-4-(4-((2-isopropyl-1H-imidazol-1-yl)methyl)phenyl)thiazoShow More⌵

    Mol. Formula:
    C25H34N4O4S2

    M.W.:
    518.71

    3  activity values

    3   unique targets

    Type:
    ---

    AlogP:
    5.59

    Polar Surface Area:
    103.18

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  19. ALA5179119

    Name:
    Butyl ((2-isobutyl-4-(4-(oxazol-2-ylmethyl)phenyl)thiazol-5-yl)sulfonyl)carShow More⌵

    Mol. Formula:
    C22H27N3O5S2

    M.W.:
    477.61

    2  activity values

    2   unique targets

    Type:
    ---

    AlogP:
    4.80

    Polar Surface Area:
    111.39

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  20. ALA5178914

    Name:
    Butyl ((4-(4-((1H-imidazol-1-yl)methyl)phenyl)-2-isobutylthiazol-5-yl)sulfoShow More⌵

    Mol. Formula:
    C22H28N4O4S2

    M.W.:
    476.62

    11  activity values

    8   unique targets

    Type:
    ---

    AlogP:
    4.47

    Polar Surface Area:
    103.18

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
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