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  1. ALA4177102

    Name:
    3-(Dimethylamino)propyl-7-fluoro-5,12-dioxo-5,12-d
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    Mol. Formula:
    C21H18FN3O4

    M.W.:
    395.39

    Type:
    Small molecule

    AlogP:
    2.36

    Polar Surface Area:
    80.98

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  2. ALA4176891

    Name:
    3-(Pyrrolidin-1-yl)propyl-7-chloro-5,12-dioxo-5,12
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    Mol. Formula:
    C23H20ClN3O4

    M.W.:
    437.88

    Type:
    Small molecule

    AlogP:
    3.41

    Polar Surface Area:
    80.98

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  3. ALA4176746

    Name:
    2-Morpholinoethyl-5,12-dioxo-5,12-dihydroindolizin
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    Mol. Formula:
    C21H18N4O5

    M.W.:
    406.40

    Type:
    Small molecule

    AlogP:
    0.99

    Polar Surface Area:
    103.10

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  4. ALA4176694

    Name:
    Ethyl 5,12-dioxo-8-(3-(piperidin-1-yl)propanamido)
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    Mol. Formula:
    C26H26N4O5

    M.W.:
    474.52

    Type:
    Small molecule

    AlogP:
    3.10

    Polar Surface Area:
    110.08

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  5. ALA4176216

    Name:
    N1-((5S,6S,11aR,11bS)-2-Oxo-2,4,5,6,9,10,11,11a-oc
    Show More

    Mol. Formula:
    C40H50N4O6

    M.W.:
    682.86

    Type:
    Small molecule

    AlogP:
    4.63

    Polar Surface Area:
    99.70

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  6. ALA4176215

    Name:
    NA

    Mol. Formula:
    C37H52N4O6

    M.W.:
    648.84

    Type:
    Small molecule

    AlogP:
    3.88

    Polar Surface Area:
    99.70

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  7. ALA4175407

    Name:
    3-(Piperidin-1-yl)propyl-7-fluoro-5,12-dioxo-5,12-
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    Mol. Formula:
    C24H22FN3O4

    M.W.:
    435.46

    Type:
    Small molecule

    AlogP:
    3.28

    Polar Surface Area:
    80.98

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  8. ALA4174633

    Name:
    2-Morpholinoethyl-5,12-dioxo-5,12-dihydroindolizin
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    Mol. Formula:
    C22H19N3O5

    M.W.:
    405.41

    Type:
    Small molecule

    AlogP:
    1.60

    Polar Surface Area:
    90.21

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  9. ALA4174350

    Name:
    2-(4-Methylpiperazin-1-yl)ethyl-7-fluoro-5,12-diox
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    Mol. Formula:
    C23H21FN4O4

    M.W.:
    436.44

    Type:
    Small molecule

    AlogP:
    1.65

    Polar Surface Area:
    84.22

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  10. ALA4173330

    Name:
    Ethyl-8-(3-(dimethylamino)propanamido)-5,12-dioxo-
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    Mol. Formula:
    C23H22N4O5

    M.W.:
    434.45

    Type:
    Small molecule

    AlogP:
    2.18

    Polar Surface Area:
    110.08

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  11. ALA4172840

    Name:
    (1R,3S)-N1-((5S,6S,11aR,11bS)-2-Oxo-2,4,5,6,9,10,1
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    Mol. Formula:
    C40H56N4O6

    M.W.:
    688.91

    Type:
    Small molecule

    AlogP:
    4.51

    Polar Surface Area:
    99.70

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  12. ALA4172174

    Name:
    3-(Piperidin-1-yl)propyl-7-chloro-5,12-dioxo-5,12-
    Show More

    Mol. Formula:
    C24H22ClN3O4

    M.W.:
    451.91

    Type:
    Small molecule

    AlogP:
    3.80

    Polar Surface Area:
    80.98

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  13. ALA4171962

    Name:
    3-(Pyrrolidin-1-yl)propyl-7-fluoro-5,12-dioxo-5,12
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    Mol. Formula:
    C23H20FN3O4

    M.W.:
    421.43

    Type:
    Small molecule

    AlogP:
    2.89

    Polar Surface Area:
    80.98

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  14. ALA4171707

    Name:
    N1-((5S,6S,11aR,11bS)-2-Oxo-2,4,5,6,9,10,11,11a-oc
    Show More

    Mol. Formula:
    C40H50N4O6

    M.W.:
    682.86

    Type:
    Small molecule

    AlogP:
    4.63

    Polar Surface Area:
    99.70

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  15. ALA4170914

    Name:
    2-Morpholinoethyl-7-fluoro-5,12-dioxo-5,12-dihydro
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    Mol. Formula:
    C22H18FN3O5

    M.W.:
    423.40

    Type:
    Small molecule

    AlogP:
    1.74

    Polar Surface Area:
    90.21

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  16. ALA4170273

    Name:
    3-Morpholinopropyl-7-chloro-5,12-dioxo-5,12-dihydr
    Show More

    Mol. Formula:
    C23H20ClN3O5

    M.W.:
    453.88

    Type:
    Small molecule

    AlogP:
    2.64

    Polar Surface Area:
    90.21

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  17. ALA4169036

    Name:
    NA

    Mol. Formula:
    C23H28N2O3

    M.W.:
    380.49

    Type:
    Small molecule

    AlogP:
    3.16

    Polar Surface Area:
    49.85

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  18. ALA4169029

    Name:
    2-(Pyrrolidin-1-yl)ethyl-7-chloro-5,12-dioxo-5,12-
    Show More

    Mol. Formula:
    C22H18ClN3O4

    M.W.:
    423.86

    Type:
    Small molecule

    AlogP:
    3.02

    Polar Surface Area:
    80.98

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  19. ALA4168844

    Name:
    Ethyl 8-(3-morpholinopropanamido)-5,12-dioxo-5,12-
    Show More

    Mol. Formula:
    C25H24N4O6

    M.W.:
    476.49

    Type:
    Small molecule

    AlogP:
    1.95

    Polar Surface Area:
    119.31

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  20. ALA4168359

    Name:
    N1-((5S,6S,11aR,11bS)-2-Oxo-2,4,5,6,9,10,11,11a-oc
    Show More

    Mol. Formula:
    C40H50N4O6

    M.W.:
    682.86

    Type:
    Small molecule

    AlogP:
    4.63

    Polar Surface Area:
    99.70

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
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