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Compounds

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  1. ALA213330

    Name:
    1-methyl-1H-imidazole-4-sulfonic acid {2-[biphenyl-4-yl-(3-methyl-3H-imidazShow More⌵

    Mol. Formula:
    C31H34N6O2S

    M.W.:
    554.72

    10  activity values

    6   unique targets

    Type:
    Small molecule

    AlogP:
    5.03

    Polar Surface Area:
    76.26

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  2. ALA214659

    Name:
    1-methyl-1H-imidazole-4-sulfonic acid {2-[(4-cyanophenyl)-(3-methyl-3H-imidShow More⌵

    Mol. Formula:
    C26H29N7O2S

    M.W.:
    503.63

    9  activity values

    7   unique targets

    Type:
    Small molecule

    AlogP:
    3.23

    Polar Surface Area:
    100.05

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  3. ALA214610

    Name:
    1-methyl-1H-imidazole-4-sulfonic acid {2-[(4-cyanophenyl)-(3-methyl-3H-imidShow More⌵

    Mol. Formula:
    C26H29N7O2S

    M.W.:
    503.63

    23  activity values

    12   unique targets

    Type:
    Small molecule

    AlogP:
    3.23

    Polar Surface Area:
    100.05

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  4. ALA215083

    Name:
    1-methyl-1H-imidazole-4-sulfonic acid benzyl-{2-[(4-bromophenyl)-(3-methyl-Show More⌵

    Mol. Formula:
    C24H27BrN6O2S

    M.W.:
    543.49

    13  activity values

    9   unique targets

    Type:
    Small molecule

    AlogP:
    3.81

    Polar Surface Area:
    76.26

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  5. ALA386462

    Name:
    1-methyl-1H-imidazole-4-sulfonic acid benzyl-{2-[(4-bromophenyl)-(3H-imidazShow More⌵

    Mol. Formula:
    C23H25BrN6O2S

    M.W.:
    529.46

    6  activity values

    6   unique targets

    Type:
    Small molecule

    AlogP:
    3.80

    Polar Surface Area:
    87.12

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  6. ALA384161

    Name:
    1-methyl-1H-imidazole-4-sulfonic acid {2-[(4-cyanophenyl)-(3-methyl-3H-imidShow More⌵

    Mol. Formula:
    C28H34N10O2S

    M.W.:
    574.72

    16  activity values

    10   unique targets

    Type:
    Small molecule

    AlogP:
    2.43

    Polar Surface Area:
    129.07

    HBA:
    11

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  7. ALA215201

    Name:
    5-dimethylaminonaphthalene-1-sulfonic acid benzyl-{2-[(3H-imidazol-4-ylmethShow More⌵

    Mol. Formula:
    C31H33N5O2S

    M.W.:
    539.71

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    5.53

    Polar Surface Area:
    72.54

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  8. ALA213480

    Name:
    1-methyl-1H-imidazole-4-sulfonic acid {2-[(4-cyanophenyl)-(3-methyl-3H-imidShow More⌵

    Mol. Formula:
    C28H38N8O3S

    M.W.:
    566.73

    4  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    2.62

    Polar Surface Area:
    120.36

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  9. ALA215476

    Name:
    pyridine-2-sulfonic acidbenzyl-{2-[(4-cyanophenyl)-(3-methyl-3H-imidazol-4-Show More⌵

    Mol. Formula:
    C26H26N6O2S

    M.W.:
    486.60

    16  activity values

    10   unique targets

    Type:
    Small molecule

    AlogP:
    3.58

    Polar Surface Area:
    95.12

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  10. ALA215475

    Name:
    thiophene-2-sulfonic acid benzyl-{2-[(4-cyanophenyl)-(3-methyl-3H-imidazol-Show More⌵

    Mol. Formula:
    C25H25N5O2S2

    M.W.:
    491.64

    9  activity values

    7   unique targets

    Type:
    Small molecule

    AlogP:
    4.25

    Polar Surface Area:
    82.23

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  11. ALA215229

    Name:
    1-methyl-1H-imidazole-4-sulfonic acid {2-[(4-bromophenyl)-(3-methyl-3H-imidShow More⌵

    Mol. Formula:
    C23H26BrN7O2S

    M.W.:
    544.48

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.21

    Polar Surface Area:
    89.15

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  12. ALA384373

    Name:
    N-benzyl-N-{2-[(4-cyanophenyl)-(3-methyl-3H-imidazol-4yl-methyl)amino]ethylShow More⌵

    Mol. Formula:
    C27H27N5O2S

    M.W.:
    485.61

    12  activity values

    8   unique targets

    Type:
    Small molecule

    AlogP:
    4.19

    Polar Surface Area:
    82.23

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  13. ALA385072

    Name:
    4-{[{2-[(4-cyanophenyl)-(3-methyl-3H-imidazol-4-ylmethyl)-amino]ethyl}(1-meShow More⌵

    Mol. Formula:
    C29H40N8O4S

    M.W.:
    596.76

    22  activity values

    10   unique targets

    Type:
    Small molecule

    AlogP:
    3.37

    Polar Surface Area:
    129.59

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  14. ALA215780

    Name:
    1-methyl-1H-imidazole-4-sulfonic acid (4-cyanobenzyl)-{2-[(4-cyanophenyl)-(Show More⌵

    Mol. Formula:
    C26H26N8O2S

    M.W.:
    514.62

    12  activity values

    8   unique targets

    Type:
    Small molecule

    AlogP:
    2.79

    Polar Surface Area:
    123.84

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  15. ALA215237

    Name:
    N-benzyl-N-{2-[(4-cyanophenyl)-(3-methyl-3H-imidazol-4yl-methyl)amino]ethylShow More⌵

    Mol. Formula:
    C25H29N5O

    M.W.:
    415.54

    4  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.98

    Polar Surface Area:
    65.16

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  16. ALA215884

    Name:
    N-benzyl-N-{2-[(4-cyanophenyl)-(3-methyl-3H-imidazol-4yl-methyl)amino]ethylShow More⌵

    Mol. Formula:
    C23H25N5O

    M.W.:
    387.49

    4  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.35

    Polar Surface Area:
    65.16

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  17. ALA214501

    Name:
    1-methyl-1H-imidazole-4-sulfonic acid (3-cyanobenzyl)-{2-[(4-cyanophenyl)-(Show More⌵

    Mol. Formula:
    C26H26N8O2S

    M.W.:
    514.62

    8  activity values

    6   unique targets

    Type:
    Small molecule

    AlogP:
    2.79

    Polar Surface Area:
    123.84

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  18. ALA385390

    Name:
    1-methyl-1H-imidazole-4-sulfonic acid {2-[(4-cyanophenyl)-(3-methyl-3H-imidShow More⌵

    Mol. Formula:
    C24H26N8O2S

    M.W.:
    490.59

    9  activity values

    7   unique targets

    Type:
    Small molecule

    AlogP:
    2.32

    Polar Surface Area:
    112.94

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  19. ALA214638

    Name:
    1-methyl-1H-imidazole-4-sulfonic acid {2-[(4-cyanophenyl)-(3-methyl-3H-imidShow More⌵

    Mol. Formula:
    C24H26N8O2S

    M.W.:
    490.59

    4  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    2.32

    Polar Surface Area:
    112.94

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  20. ALA385845

    Name:
    1-methyl-1H-imidazole-4-sulfonic acid {2-[(4-cyanophenyl)-(3-methyl-3H-imidShow More⌵

    Mol. Formula:
    C24H26N8O2S

    M.W.:
    490.59

    8  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    2.32

    Polar Surface Area:
    112.94

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
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