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  1. ALA4871158

    Name:
    Boesenmaxane A

    Mol. Formula:
    C20H26O3

    M.W.:
    314.43

    Type:
    Unknown

    AlogP:
    3.98

    Polar Surface Area:
    43.37

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  2. ALA5287486

    Name:
    3,5-di(benzylidene)-1-(4-(3-(4-chlorophenyl)-3-oxo
    Show More

    Mol. Formula:
    C35H26ClNO3

    M.W.:
    544.05

    Type:
    ---

    AlogP:
    7.43

    Polar Surface Area:
    54.45

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  3. ALA5287402

    Name:
    (S)-18-((4-hydroxy-3-methoxybenzyl)amino)-18-oxooc
    Show More

    Mol. Formula:
    C34H49NO5

    M.W.:
    551.77

    Type:
    ---

    AlogP:
    7.82

    Polar Surface Area:
    84.86

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  4. ALA5287210

    Name:
    Rabdoumbrosanin

    Mol. Formula:
    C20H28O3

    M.W.:
    316.44

    Type:
    ---

    AlogP:
    3.61

    Polar Surface Area:
    54.37

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  5. ALA5286528

    Name:
    (-)-ent-arbusculin B

    Mol. Formula:
    C15H20O2

    M.W.:
    232.32

    Type:
    ---

    AlogP:
    3.38

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  6. ALA5285508

    Name:
    Yak'amide B

    Mol. Formula:
    C82H143N15O18

    M.W.:
    1627.13

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA5285086

    Name:
    (1R,2R,4aS,5R,8aS)-5-(2-acetoxy-2-(2-oxo-2,5-dihyd
    Show More

    Mol. Formula:
    C30H48O7Si

    M.W.:
    548.79

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA5284906

    Name:
    3,5-di(benzylidene)-1-(3-(3,4,5-trimethoxyphenyl)a
    Show More

    Mol. Formula:
    C31H29NO5

    M.W.:
    495.58

    Type:
    ---

    AlogP:
    5.30

    Polar Surface Area:
    65.07

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  9. ALA5284850

    Name:
    3,5-di(benzylidene)-1-(3-(3,4-dimethoxyphenyl)acry
    Show More

    Mol. Formula:
    C30H27NO4

    M.W.:
    465.55

    Type:
    ---

    AlogP:
    5.30

    Polar Surface Area:
    55.84

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  10. ALA5284209

    Name:
    8,14-epoxyrabdoumbrosanin

    Mol. Formula:
    C20H28O4

    M.W.:
    332.44

    Type:
    ---

    AlogP:
    2.83

    Polar Surface Area:
    66.90

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  11. ALA5283951

    Name:
    3,5-di(benzylidene)-1-(4-(3-(4-methoxyphenyl)-3-ox
    Show More

    Mol. Formula:
    C36H29NO4

    M.W.:
    539.63

    Type:
    ---

    AlogP:
    6.78

    Polar Surface Area:
    63.68

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  12. ALA5283669

    Name:
    3,5-di(benzylidene)-1-(4-(3-(3,4-dimethoxyphenyl)-
    Show More

    Mol. Formula:
    C37H31NO5

    M.W.:
    569.66

    Type:
    ---

    AlogP:
    6.79

    Polar Surface Area:
    72.91

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  13. ALA5283090

    Name:
    (-)-ent-costunolide

    Mol. Formula:
    C15H20O2

    M.W.:
    232.32

    Type:
    ---

    AlogP:
    3.55

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  14. ALA5282279

    Name:
    Rubroside E

    Mol. Formula:
    C41H51Cl3N2O16

    M.W.:
    934.22

    Type:
    ---

    AlogP:
    0.66

    Polar Surface Area:
    277.46

    HBA:
    16

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  15. ALA5282005

    Name:
    Marsupellone

    Mol. Formula:
    C15H22O

    M.W.:
    218.34

    Type:
    ---

    AlogP:
    3.59

    Polar Surface Area:
    17.07

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  16. ALA5281714

    Name:
    3,5-di(benzylidene)-1-(4-(3-oxo-3-(p-tolyl)prop-1-
    Show More

    Mol. Formula:
    C36H29NO3

    M.W.:
    523.63

    Type:
    ---

    AlogP:
    7.08

    Polar Surface Area:
    54.45

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  17. ALA5280987

    Name:
    3,5-di(benzylidene)-1-(3-(4-methoxyphenyl)acryloyl
    Show More

    Mol. Formula:
    C29H25NO3

    M.W.:
    435.52

    Type:
    ---

    AlogP:
    5.29

    Polar Surface Area:
    46.61

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  18. ALA5280749

    Name:
    Acetoxymarsupellone

    Mol. Formula:
    C17H24O3

    M.W.:
    276.38

    Type:
    ---

    AlogP:
    3.14

    Polar Surface Area:
    43.37

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  19. ALA5279342

    Name:
    3,5-di(benzylidene)-1-(3-(p-tolyl)acryloyl)piperid
    Show More

    Mol. Formula:
    C29H25NO2

    M.W.:
    419.52

    Type:
    ---

    AlogP:
    5.59

    Polar Surface Area:
    37.38

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  20. ALA5277963

    Name:
    3,5-di(benzylidene)-1-(3-(4-nitrophenyl)acryloyl)p
    Show More

    Mol. Formula:
    C28H22N2O4

    M.W.:
    450.49

    Type:
    ---

    AlogP:
    5.19

    Polar Surface Area:
    80.52

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
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