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  1. ALA5287455

    Name:
    diethyl (2-hydroxy-2-(4-((5-nitro-1,3-dioxo-1H-ben
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    Mol. Formula:
    C21H22N5O8P

    M.W.:
    503.41

    Type:
    ---

    AlogP:
    2.89

    Polar Surface Area:
    166.99

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  2. ALA5287313

    Name:
    diethyl (4-(4-((1,3-dioxo-1H-benzo[de]isoquinolin-
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    Mol. Formula:
    C23H27N4O5P

    M.W.:
    470.47

    Type:
    ---

    AlogP:
    4.27

    Polar Surface Area:
    103.62

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  3. ALA5286932

    Name:
    4-hydroperoxyoscillatoxin B2

    Mol. Formula:
    C32H46O11

    M.W.:
    606.71

    Type:
    ---

    AlogP:
    4.80

    Polar Surface Area:
    150.21

    HBA:
    11

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  4. ALA5286871

    Name:
    diethyl (3-(4-((1,3-dioxo-1H-benzo[de]isoquinolin-
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    Mol. Formula:
    C22H25N4O6P

    M.W.:
    472.44

    Type:
    ---

    AlogP:
    2.85

    Polar Surface Area:
    123.85

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  5. ALA5286297

    Name:
    diethyl (4-(4-((5-nitro-1,3-dioxo-1H-benzo[de]isoq
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    Mol. Formula:
    C23H26N5O7P

    M.W.:
    515.46

    Type:
    ---

    AlogP:
    4.18

    Polar Surface Area:
    146.76

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  6. ALA5285959

    Name:
    17-bromooscillatoxin B2

    Mol. Formula:
    C32H45BrO10

    M.W.:
    669.61

    Type:
    ---

    AlogP:
    5.07

    Polar Surface Area:
    140.98

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  7. ALA5285890

    Name:
    diethyl (2-(((4-((5-nitro-1,3-dioxo-1H-benzo[de]is
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    Mol. Formula:
    C22H23N6O8P

    M.W.:
    530.43

    Type:
    ---

    AlogP:
    2.48

    Polar Surface Area:
    175.86

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  8. ALA5285780

    Name:
    diethyl ((4-((1,3-dioxo-1H-benzo[de]isoquinolin-2(
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    Mol. Formula:
    C20H21N4O5P

    M.W.:
    428.39

    Type:
    ---

    AlogP:
    3.45

    Polar Surface Area:
    103.62

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  9. ALA5284911

    Name:
    Curacin A

    Mol. Formula:
    C23H35NOS

    M.W.:
    373.61

    Type:
    ---

    AlogP:
    6.37

    Polar Surface Area:
    21.59

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  10. ALA5284753

    Name:
    2-oxo-3(R)-hydroxy-lyngbyatoxin A

    Mol. Formula:
    C27H39N3O4

    M.W.:
    469.63

    Type:
    ---

    AlogP:
    3.36

    Polar Surface Area:
    101.90

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  11. ALA5284729

    Name:
    diethyl (3-(4-((6-bromo-1,3-dioxo-1H-benzo[de]isoq
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    Mol. Formula:
    C22H24BrN4O6P

    M.W.:
    551.33

    Type:
    ---

    AlogP:
    3.62

    Polar Surface Area:
    123.85

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  12. ALA5284606

    Name:
    diethyl (4-(4-((6-bromo-1,3-dioxo-1H-benzo[de]isoq
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    Mol. Formula:
    C23H26BrN4O5P

    M.W.:
    549.36

    Type:
    ---

    AlogP:
    5.04

    Polar Surface Area:
    103.62

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  13. ALA5284273

    Name:
    Oscillatoxin

    Mol. Formula:
    C32H46O10

    M.W.:
    590.71

    Type:
    ---

    AlogP:
    4.31

    Polar Surface Area:
    140.98

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  14. ALA5284101

    Name:
    diethyl (3-(4-((6-bromo-1,3-dioxo-1H-benzo[de]isoq
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    Mol. Formula:
    C22H24BrN4O5P

    M.W.:
    535.34

    Type:
    ---

    AlogP:
    4.65

    Polar Surface Area:
    103.62

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  15. ALA5284062

    Name:
    Anhydroaplysiatoxin

    Mol. Formula:
    C32H45BrO9

    M.W.:
    653.61

    Type:
    ---

    AlogP:
    6.10

    Polar Surface Area:
    120.75

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  16. ALA5281013

    Name:
    Oscillatoxin I

    Mol. Formula:
    C32H43BrO8

    M.W.:
    635.59

    Type:
    ---

    AlogP:
    5.99

    Polar Surface Area:
    119.36

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  17. ALA5280262

    Name:
    diethyl (2-(4-((1,3-dioxo-1H-benzo[de]isoquinolin-
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    Mol. Formula:
    C21H23N4O6P

    M.W.:
    458.41

    Type:
    ---

    AlogP:
    2.98

    Polar Surface Area:
    123.85

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  18. ALA5280180

    Name:
    diethyl (2-((4-((5-nitro-1,3-dioxo-1H-benzo[de]iso
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    Mol. Formula:
    C22H24N5O8P

    M.W.:
    517.44

    Type:
    ---

    AlogP:
    3.38

    Polar Surface Area:
    155.99

    HBA:
    11

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  19. ALA5278753

    Name:
    30-methy-loscillatoxin D

    Mol. Formula:
    C32H44O8

    M.W.:
    556.70

    Type:
    ---

    AlogP:
    5.32

    Polar Surface Area:
    108.36

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  20. ALA5278708

    Name:
    12-chloro-11-Hydroxydibromoisophakellin

    Mol. Formula:
    C11H12Br2ClN5O2

    M.W.:
    441.51

    Type:
    ---

    AlogP:
    0.15

    Polar Surface Area:
    106.41

    HBA:
    5

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
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