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  1. ALA1086155

    Name:
    aphrocallistin

    Mol. Formula:
    C20H24Br2N6O2

    M.W.:
    540.26

    Type:
    Small molecule

    AlogP:
    3.74

    Polar Surface Area:
    85.17

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  2. ALA3736436

    Name:
    (3Z)-N-(2-oxo-3-((1H-imidazol-5yl)methylene)indoli
    Show More

    Mol. Formula:
    C13H12N4O3S

    M.W.:
    304.33

    Type:
    Small molecule

    AlogP:
    1.27

    Polar Surface Area:
    103.95

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  3. ALA3735600

    Name:
    (3E)-N-(2-oxo-(3-(1-methyl-1H-imidazol-2yl)methyle
    Show More

    Mol. Formula:
    C14H14N4O3S

    M.W.:
    318.36

    Type:
    Small molecule

    AlogP:
    1.28

    Polar Surface Area:
    93.09

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  4. ALA3734965

    Name:
    (3Z)-3-(1-(1H-imidazol-5-yl)-ethylidene)-N-(3,4-di
    Show More

    Mol. Formula:
    C21H20N4O5S

    M.W.:
    440.48

    Type:
    Small molecule

    AlogP:
    2.40

    Polar Surface Area:
    122.41

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  5. ALA3736452

    Name:
    (3E)-N-(3,4-dimethoxybenzyl)-3-((1-methyl-1H-imida
    Show More

    Mol. Formula:
    C22H22N4O5S

    M.W.:
    454.51

    Type:
    Small molecule

    AlogP:
    2.41

    Polar Surface Area:
    111.55

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  6. ALA3735454

    Name:
    (3Z)-N-(3,4-dimethoxybenzyl)-2-oxo-3-(thiophen-2-y
    Show More

    Mol. Formula:
    C22H20N2O5S2

    M.W.:
    456.55

    Type:
    Small molecule

    AlogP:
    3.74

    Polar Surface Area:
    93.73

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  7. ALA3735957

    Name:
    (3Z)-N-(4-(methylsulfonyl)phenyl)-N'-(2-oxo-3-((1H
    Show More

    Mol. Formula:
    C20H17N5O4S

    M.W.:
    423.45

    Type:
    Small molecule

    AlogP:
    2.95

    Polar Surface Area:
    133.05

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  8. ALA3735019

    Name:
    (3E)-N-(4-(methylsulfonyl)phenyl)-N'-(2-oxo-3-((1-
    Show More

    Mol. Formula:
    C21H19N5O4S

    M.W.:
    437.48

    Type:
    Small molecule

    AlogP:
    2.96

    Polar Surface Area:
    122.19

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  9. ALA3735845

    Name:
    (3Z)-N-(4-(methylsulfonyl)phenyl)-N'-(2-oxo-3-(thi
    Show More

    Mol. Formula:
    C21H17N3O4S2

    M.W.:
    439.52

    Type:
    Small molecule

    AlogP:
    4.29

    Polar Surface Area:
    104.37

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  10. ALA3734782

    Name:
    (3Z)-N-(4-(methylthio)phenyl)-N'-(2-oxo-(3-(1H-imi
    Show More

    Mol. Formula:
    C20H17N5O2S

    M.W.:
    391.46

    Type:
    Small molecule

    AlogP:
    4.27

    Polar Surface Area:
    98.91

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  11. ALA3736265

    Name:
    (3E)-N-(4-(methylthio)phenyl)-N'-(2-oxo-(3-(1-meth
    Show More

    Mol. Formula:
    C21H19N5O2S

    M.W.:
    405.48

    Type:
    Small molecule

    AlogP:
    4.28

    Polar Surface Area:
    88.05

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  12. ALA3734883

    Name:
    (Z)-N-(4-(methylthio)phenyl)-N'-(2-oxo-3-(thiophen
    Show More

    Mol. Formula:
    C21H17N3O2S2

    M.W.:
    407.52

    Type:
    Small molecule

    AlogP:
    5.61

    Polar Surface Area:
    70.23

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  13. ALA3736236

    Name:
    (3Z)-2-((3,4-dimethoxybenzyl)amino)-N-(2-oxo-3-(th
    Show More

    Mol. Formula:
    C24H23N3O4S

    M.W.:
    449.53

    Type:
    Small molecule

    AlogP:
    3.99

    Polar Surface Area:
    88.69

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  14. ALA5208895

    Name:
    4'-(2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-
    Show More

    Mol. Formula:
    C48H51ClN8O4S

    M.W.:
    871.51

    Type:
    ---

    AlogP:
    9.04

    Polar Surface Area:
    146.60

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  15. ALA5208813

    Name:

    Mol. Formula:
    C37H59NO6

    M.W.:
    613.88

    Type:
    ---

    AlogP:
    7.89

    Polar Surface Area:
    94.09

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  16. ALA5205294

    Name:

    Mol. Formula:
    C38H64BrO4P

    M.W.:
    695.80

    Type:
    ---

    AlogP:
    9.51

    Polar Surface Area:
    44.76

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  17. ALA5204750

    Name:

    Mol. Formula:
    C56H100BrO4P

    M.W.:
    948.29

    Type:
    ---

    AlogP:
    16.53

    Polar Surface Area:
    44.76

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    27

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  18. ALA5204260

    Name:
    N'-((9-butyl-9H-carbazol-3-yl)methylene)isonicotin
    Show More

    Mol. Formula:
    C23H22N4O

    M.W.:
    370.46

    Type:
    ---

    AlogP:
    4.75

    Polar Surface Area:
    59.28

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  19. ALA5203048

    Name:
    N'-((9-hexyl-9H-carbazol-3-yl)methylene)isonicotin
    Show More

    Mol. Formula:
    C25H26N4O

    M.W.:
    398.51

    Type:
    ---

    AlogP:
    5.53

    Polar Surface Area:
    59.28

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  20. ALA5201607

    Name:

    Mol. Formula:
    C35H58BrO4P

    M.W.:
    653.72

    Type:
    ---

    AlogP:
    8.34

    Polar Surface Area:
    44.76

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
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