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  1. ALA1077215

    Name:
    1-Cyclohexyl-6,7-dimethoxy-3,4-dihydroisoquinoline
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    Mol. Formula:
    C17H26N2O4S

    M.W.:
    354.47

    Type:
    Small molecule

    AlogP:
    2.39

    Polar Surface Area:
    81.86

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.90

    DETAILS
  2. ALA1090420

    Name:
    1-Cyclopentyl-6,7-dimethoxy-3,4-dihydroisoquinolin
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    Mol. Formula:
    C16H24N2O4S

    M.W.:
    340.45

    Type:
    Small molecule

    AlogP:
    2.00

    Polar Surface Area:
    81.86

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  3. ALA1090419

    Name:
    1-n-Butyl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(
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    Mol. Formula:
    C15H24N2O4S

    M.W.:
    328.43

    Type:
    Small molecule

    AlogP:
    2.00

    Polar Surface Area:
    81.86

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  4. ALA1090418

    Name:
    1-Cyclopropyl-6,7-dimethoxy-3,4-dihydroisoquinolin
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    Mol. Formula:
    C14H20N2O4S

    M.W.:
    312.39

    Type:
    Small molecule

    AlogP:
    1.22

    Polar Surface Area:
    81.86

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  5. ALA1090062

    Name:
    6,7-Dimethoxy-1-isopropyl-3,4-dihydroisoquinoline-
    Show More

    Mol. Formula:
    C14H22N2O4S

    M.W.:
    314.41

    Type:
    Small molecule

    AlogP:
    1.46

    Polar Surface Area:
    81.86

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  6. ALA1089380

    Name:
    6,7-Dimethoxy-1-propyl-3,4-dihydroisoquinoline-2(1
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    Mol. Formula:
    C14H22N2O4S

    M.W.:
    314.41

    Type:
    Small molecule

    AlogP:
    1.61

    Polar Surface Area:
    81.86

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  7. ALA3613783

    Name:
    4-(3,4-Dihydroquinolin-1(2H)-ylcarbonyl)benzenesul
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    Mol. Formula:
    C16H16N2O3S

    M.W.:
    316.38

    Type:
    Small molecule

    AlogP:
    1.93

    Polar Surface Area:
    80.47

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.92

    DETAILS
  8. ALA3613782

    Name:
    4-[(6-Hydroxy-3,4-dihydroquinolin-1(2H)-yl)carbony
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    Mol. Formula:
    C16H16N2O4S

    M.W.:
    332.38

    Type:
    Small molecule

    AlogP:
    1.63

    Polar Surface Area:
    100.70

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  9. ALA3613780

    Name:
    4-(3,4-Dihydroisoquinolin-2(1H)-ylcarbonyl)benzene
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    Mol. Formula:
    C16H16N2O3S

    M.W.:
    316.38

    Type:
    Small molecule

    AlogP:
    1.53

    Polar Surface Area:
    80.47

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  10. ALA3613779

    Name:
    4-[(6-Hydroxy-3,4-dihydroisoquinolin-2(1H)-yl)carb
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    Mol. Formula:
    C16H16N2O4S

    M.W.:
    332.38

    Type:
    Small molecule

    AlogP:
    1.24

    Polar Surface Area:
    100.70

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  11. ALA3613778

    Name:
    4-[(6-Methoxy-3,4-dihydroisoquinolin-2(1H)-yl)carb
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    Mol. Formula:
    C17H18N2O4S

    M.W.:
    346.41

    Type:
    Small molecule

    AlogP:
    1.54

    Polar Surface Area:
    89.70

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  12. ALA3613777

    Name:
    4-[(6,7-Dihydroxy-3,4-dihydroisoquinolin-2(1H)-yl)
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    Mol. Formula:
    C16H16N2O5S

    M.W.:
    348.38

    Type:
    Small molecule

    AlogP:
    0.94

    Polar Surface Area:
    120.93

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  13. ALA3613776

    Name:
    4-[(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)
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    Mol. Formula:
    C18H20N2O5S

    M.W.:
    376.43

    Type:
    Small molecule

    AlogP:
    1.55

    Polar Surface Area:
    98.93

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  14. ALA3613775

    Name:
    N-[2-(3,4-dihydroxyphenyl)ethyl]-4-sulfamoylbenzam
    Show More

    Mol. Formula:
    C15H16N2O5S

    M.W.:
    336.37

    Type:
    Small molecule

    AlogP:
    0.72

    Polar Surface Area:
    129.72

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  15. ALA3099282

    Name:
    5-(3-tosylureido)pyridine-2-sulfonamide

    Mol. Formula:
    C13H14N4O5S2

    M.W.:
    370.41

    Type:
    Small molecule

    AlogP:
    0.55

    Polar Surface Area:
    148.32

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  16. ALA3099281

    Name:
    5-aminopyridine-2-sulfonamide

    Cas Number:
    64356-57-6

    Mol. Formula:
    C5H7N3O2S

    M.W.:
    173.20

    Type:
    Small molecule

    AlogP:
    -0.69

    Polar Surface Area:
    99.07

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  17. ALA3098849

    Name:
    4-bromo-2-chloro-N-[4-(sulfamoylmethyl)phenyl]benz
    Show More

    Mol. Formula:
    C13H12BrClN2O4S2

    M.W.:
    439.74

    Type:
    Small molecule

    AlogP:
    2.69

    Polar Surface Area:
    106.33

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  18. ALA3098848

    Name:
    N-[4-(sulfamoylmethyl)phenyl]cyclohex-3-ene-1-carb
    Show More

    Cas Number:
    950052-54-7

    Mol. Formula:
    C14H18N2O3S

    M.W.:
    294.38

    Type:
    Small molecule

    AlogP:
    1.77

    Polar Surface Area:
    89.26

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  19. ALA3092939

    Name:
    4-[3''-(Aminosulfonyl)phenyl]-1-(beta-D-glucopyran
    Show More

    Mol. Formula:
    C14H18N4O7S

    M.W.:
    386.39

    Type:
    Small molecule

    AlogP:
    -2.44

    Polar Surface Area:
    181.02

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  20. ALA3092938

    Name:
    4-[3''-(Aminosulfonyl)phenyl]-1-(2',3',4',6'-tetra
    Show More

    Mol. Formula:
    C26H34N4O11S

    M.W.:
    610.64

    Type:
    Small molecule

    AlogP:
    1.41

    Polar Surface Area:
    205.30

    HBA:
    14

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
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