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  1. ALA4475863

    Name:
    (1R,SR)1-dodecylsulfinyl-5N,6O-oxomethylidenenojir
    Show More

    Mol. Formula:
    C19H35NO6S

    M.W.:
    405.56

    Type:
    Unknown

    AlogP:
    1.90

    Polar Surface Area:
    113.29

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  2. ALA4558412

    Name:
    3,3'-(2-(5-oxo-17-((2S,3S,4S,5S,6R)-3,4,5-trihydro
    Show More

    Mol. Formula:
    C80H144N4O34

    M.W.:
    1706.03

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA4743221

    Name:
    Flustramine E trifluoroacetic acid

    Mol. Formula:
    C18H22BrF3N2O2

    M.W.:
    435.28

    Type:
    Unknown

    AlogP:
    4.13

    Polar Surface Area:
    15.27

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  4. ALA4742844

    Name:
    Flustramine C trifluoroacetic acid

    Mol. Formula:
    C18H20BrF3N2O2

    M.W.:
    433.27

    Type:
    Unknown

    AlogP:
    4.28

    Polar Surface Area:
    15.60

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  5. ALA4741961

    Name:
    Flustraminol F

    Mol. Formula:
    C21H31BrN2O3

    M.W.:
    439.39

    Type:
    Unknown

    AlogP:
    2.83

    Polar Surface Area:
    67.17

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  6. ALA4741574

    Name:
    Flustramine A trifluoroacetic acid

    Mol. Formula:
    C23H30BrF3N2O2

    M.W.:
    503.40

    Type:
    Unknown

    AlogP:
    5.35

    Polar Surface Area:
    6.48

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  7. ALA4740628

    Name:
    Flustramine V; (R)-6-bromo-3-(2-(methylamino)ethyl
    Show More

    Mol. Formula:
    C16H21BrN2O

    M.W.:
    337.26

    Type:
    Unknown

    AlogP:
    3.46

    Polar Surface Area:
    41.13

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  8. ALA4762192

    Name:
    Flustraminol E

    Mol. Formula:
    C21H31BrN2O2

    M.W.:
    423.40

    Type:
    Unknown

    AlogP:
    3.51

    Polar Surface Area:
    46.94

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  9. ALA4759773

    Name:
    Flustraminol D

    Mol. Formula:
    C21H31BrN2O3

    M.W.:
    439.39

    Type:
    Unknown

    AlogP:
    2.98

    Polar Surface Area:
    67.17

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  10. ALA4758725

    Name:
    Dihydroflustramine C trifluoroacetic acid

    Mol. Formula:
    C17H20BrF3N2O2

    M.W.:
    421.26

    Type:
    Unknown

    AlogP:
    3.64

    Polar Surface Area:
    24.06

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  11. ALA4589470

    Name:
    (1R,SS)-1-Dodecylsulfinyl-5N,6O-oxomethylidenegala
    Show More

    Mol. Formula:
    C19H35NO6S

    M.W.:
    405.56

    Type:
    Unknown

    AlogP:
    1.90

    Polar Surface Area:
    113.29

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  12. ALA4585802

    Name:
    (1R,SR)-1-Dodecylsulfinyl-5N,6O-oxomethylidenegala
    Show More

    Mol. Formula:
    C19H35NO6S

    M.W.:
    405.56

    Type:
    Unknown

    AlogP:
    1.90

    Polar Surface Area:
    113.29

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  13. ALA4784993

    Name:
    Flustrimidazole A

    Mol. Formula:
    C15H25N3O2

    M.W.:
    279.38

    Type:
    Unknown

    AlogP:
    1.96

    Polar Surface Area:
    78.01

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  14. ALA4782317

    Name:
    Flustramine U; 3-(2-(6-bromo-2-(2-methylbut-3-en-2
    Show More

    Mol. Formula:
    C19H26BrN2O+

    M.W.:
    378.33

    Type:
    Unknown

    AlogP:
    4.37

    Polar Surface Area:
    25.02

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  15. ALA4752839

    Name:
    Flustraminol G

    Mol. Formula:
    C22H33BrN2O3

    M.W.:
    453.42

    Type:
    Unknown

    AlogP:
    3.49

    Polar Surface Area:
    56.17

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  16. ALA4752041

    Name:
    flustramine W; (3R)-6-bromo-3-hydroxy-3-(2-(methyl
    Show More

    Mol. Formula:
    C16H21BrN2O2

    M.W.:
    353.26

    Type:
    Unknown

    AlogP:
    2.56

    Polar Surface Area:
    52.57

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  17. ALA4796008

    Name:
    Na-methyldeformylflustrabromine trifluoroacetic ac
    Show More

    Mol. Formula:
    C19H24BrF3N2O2

    M.W.:
    449.31

    Type:
    Unknown

    AlogP:
    4.17

    Polar Surface Area:
    16.96

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  18. ALA4793987

    Name:
    Flustraminol C

    Mol. Formula:
    C21H31BrN2O2

    M.W.:
    423.40

    Type:
    Unknown

    AlogP:
    3.66

    Polar Surface Area:
    46.94

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  19. ALA4792556

    Name:
    flustramine T; 2-(6-bromo-2-((4aS*,4bR*,9bS*,10R*,
    Show More

    Mol. Formula:
    C34H43Br2N4+

    M.W.:
    667.55

    Type:
    Unknown

    AlogP:
    8.04

    Polar Surface Area:
    31.06

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  20. ALA4789307

    Name:
    Deformylflustrabromine B trifluoroacetic acid

    Mol. Formula:
    C18H22BrF3N2O2

    M.W.:
    435.28

    Type:
    Unknown

    AlogP:
    4.13

    Polar Surface Area:
    16.96

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
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