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  1. ALA3986712

    Name:
    (R)-11-(1-Amino-4-fluoro-isoquinolin-6-ylamino)-16
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    Mol. Formula:
    C31H30FN5O5S

    M.W.:
    603.68

    Type:
    Small molecule

    AlogP:
    4.29

    Polar Surface Area:
    154.72

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  2. ALA3984725

    Name:
    1-[(2R,15R)-2-(1-Amino-4-fluoro-isoquinolin-6-ylam
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    Mol. Formula:
    C36H38FN5O5

    M.W.:
    639.73

    Type:
    Small molecule

    AlogP:
    6.64

    Polar Surface Area:
    146.88

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  3. ALA3982319

    Name:
    Methyl 3-((R)-1-((R)-2-(4-cyclopropyl-1-oxo-1,2-di
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    Mol. Formula:
    C37H42N4O8S

    M.W.:
    702.83

    Type:
    Small molecule

    AlogP:
    6.30

    Polar Surface Area:
    156.13

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  4. ALA3980787

    Name:
    Diethyl [(2R,15R)-2-[(1-Aminoisoquinolin-6-yl)amin
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    Mol. Formula:
    C34H40N5O6P

    M.W.:
    645.70

    Type:
    Small molecule

    AlogP:
    6.49

    Polar Surface Area:
    145.11

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  5. ALA3979870

    Name:
    (R)-5-(1-Amino-4-fluoro-isoquinolin-6-ylamino)-13-
    Show More

    Mol. Formula:
    C38H37FN6O4S

    M.W.:
    692.82

    Type:
    Small molecule

    AlogP:
    6.29

    Polar Surface Area:
    137.73

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  6. ALA3978562

    Name:
    [(2R,15R)-2-[(1-Aminoisoquinolin-6-yl)amino]-4,15,
    Show More

    Mol. Formula:
    C32H36N5O6P

    M.W.:
    617.64

    Type:
    Small molecule

    AlogP:
    5.45

    Polar Surface Area:
    156.11

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  7. ALA3978462

    Name:
    (5S,11R)-11-(1-Amino-4-fluoro-isoquinolin-6-ylamin
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    Mol. Formula:
    C34H34F3N5O5S

    M.W.:
    681.74

    Type:
    Small molecule

    AlogP:
    5.79

    Polar Surface Area:
    143.72

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  8. ALA3978216

    Name:
    (5R,11R)-5-(1-Amino-4-fluoro-isoquinolin-6-ylamino
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    Mol. Formula:
    C34H37FN6O5S

    M.W.:
    660.77

    Type:
    Small molecule

    AlogP:
    5.29

    Polar Surface Area:
    146.96

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  9. ALA3977497

    Name:
    Methyl 3-((R)-1-((R)-2-(3,4-dimethoxyphenyl)-2-(4-
    Show More

    Mol. Formula:
    C34H37FN4O8S

    M.W.:
    680.75

    Type:
    Small molecule

    AlogP:
    5.56

    Polar Surface Area:
    156.13

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  10. ALA3808801

    Name:
    (2R,15R)-2-[(1-Aminoisoquinolin-6-yl)amino]-4,15,1
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    Mol. Formula:
    C30H31N5O3

    M.W.:
    509.61

    Type:
    Small molecule

    AlogP:
    5.47

    Polar Surface Area:
    109.58

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  11. ALA3809909

    Name:
    (2R,15R)-2-[(1-Aminoisoquinolin-6-yl)amino]-15,17-
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    Mol. Formula:
    C29H29N5O3

    M.W.:
    495.58

    Type:
    Small molecule

    AlogP:
    5.13

    Polar Surface Area:
    118.37

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  12. ALA3809993

    Name:
    (2S,15R)-2-[(1-Aminoisoquinolin-6-yl)amino]-4,15,1
    Show More

    Mol. Formula:
    C30H31N5O3

    M.W.:
    509.61

    Type:
    Small molecule

    AlogP:
    5.47

    Polar Surface Area:
    109.58

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  13. ALA3809344

    Name:
    (2S,15R)-2-[(1-Aminoisoquinolin-6-yl)amino]-15,17-
    Show More

    Mol. Formula:
    C29H29N5O3

    M.W.:
    495.58

    Type:
    Small molecule

    AlogP:
    5.13

    Polar Surface Area:
    118.37

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  14. ALA3809352

    Name:
    (15S)-2-[(1-aminoisoquinolin-6-yl)amino]-15-methyl
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    Mol. Formula:
    C28H27N5O3

    M.W.:
    481.56

    Type:
    Small molecule

    AlogP:
    4.95

    Polar Surface Area:
    118.37

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  15. ALA3808399

    Name:
    (15R)-2-[(1-aminoisoquinolin-6-yl)amino]-15-methyl
    Show More

    Mol. Formula:
    C28H27N5O3

    M.W.:
    481.56

    Type:
    Small molecule

    AlogP:
    4.95

    Polar Surface Area:
    118.37

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  16. ALA3808853

    Name:
    2-(1-Amino-isoquinolin-6-ylamino)-15-methyl-13-oxa
    Show More

    Mol. Formula:
    C28H27N5O3

    M.W.:
    481.56

    Type:
    Small molecule

    AlogP:
    4.95

    Polar Surface Area:
    118.37

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  17. ALA3809472

    Name:
    2-(1-Amino-isoquinolin-6-ylamino)-13-oxa-4,11-diaz
    Show More

    Mol. Formula:
    C27H25N5O3

    M.W.:
    467.53

    Type:
    Small molecule

    AlogP:
    4.39

    Polar Surface Area:
    118.37

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  18. ALA5193093

    Name:
    2-[6-(3-amino-5-nitro-phenyl)-3-(isopropylamino)-2
    Show More

    Mol. Formula:
    C24H27N7O4

    M.W.:
    477.53

    Type:
    ---

    AlogP:
    2.43

    Polar Surface Area:
    182.16

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  19. ALA5190859

    Name:
    3-[1-[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo
    Show More

    Mol. Formula:
    C25H26N6O6

    M.W.:
    506.52

    Type:
    ---

    AlogP:
    2.54

    Polar Surface Area:
    193.44

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  20. ALA4218188

    Name:
    7-(ethylthio)-2-(2-fluorophenyl)-4H-pyrimido[4,5-d
    Show More

    Mol. Formula:
    C14H10FN3O2S

    M.W.:
    303.32

    Type:
    Small molecule

    AlogP:
    2.90

    Polar Surface Area:
    68.88

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
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