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  1. ALA5271993

    Name:
    Infuscaside B

    Mol. Formula:
    C26H40O8

    M.W.:
    480.60

    Type:
    ---

    AlogP:
    0.92

    Polar Surface Area:
    136.68

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  2. ALA5268489

    Name:
    Herbertene-2,3-diol

    Mol. Formula:
    C15H22O2

    M.W.:
    234.34

    Type:
    ---

    AlogP:
    3.87

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  3. ALA5279047

    Name:
    Cyclomyltaylyl-10-caffeate

    Mol. Formula:
    C24H30O4

    M.W.:
    382.50

    Type:
    ---

    AlogP:
    4.90

    Polar Surface Area:
    66.76

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  4. ALA5275253

    Name:
    Bicyclogermacrenal

    Mol. Formula:
    C15H22O

    M.W.:
    218.34

    Type:
    ---

    AlogP:
    3.90

    Polar Surface Area:
    17.07

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  5. ALA5283246

    Name:
    Infuscaside A

    Mol. Formula:
    C28H42O9

    M.W.:
    522.64

    Type:
    ---

    AlogP:
    1.49

    Polar Surface Area:
    142.75

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  6. ALA5290416

    Name:
    Plagiochilide

    Mol. Formula:
    C15H20O2

    M.W.:
    232.32

    Type:
    ---

    AlogP:
    3.30

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  7. ALA5287579

    Name:
    Norpinguisone

    Mol. Formula:
    C13H16O2

    M.W.:
    204.27

    Type:
    ---

    AlogP:
    3.07

    Polar Surface Area:
    30.21

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  8. ALA3580865

    Name:
    (2S,3S,Z)-N'-(4-chlorobenzylidene)-2-(1,3-dioxoisoindolin-2-yl)-3-methylpenShow More

    Mol. Formula:
    C21H20ClN3O3

    M.W.:
    397.86

    Type:
    Small molecule

    AlogP:
    3.50

    Polar Surface Area:
    78.84

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  9. ALA3580862

    Name:
    (2S,3S,Z)-N'-(3,4-dichlorobenzylidene)-2-(1,3-dioxoisoindolin-2-yl)-3-methyShow More

    Mol. Formula:
    C21H19Cl2N3O3

    M.W.:
    432.31

    Type:
    Small molecule

    AlogP:
    4.15

    Polar Surface Area:
    78.84

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  10. ALA3580859

    Name:
    (2S,3S,Z)-2-(1,3-dioxoisoindolin-2-yl)-N'-(4-methoxybenzylidene)-3-methylpeShow More

    Mol. Formula:
    C22H23N3O4

    M.W.:
    393.44

    Type:
    Small molecule

    AlogP:
    2.86

    Polar Surface Area:
    88.07

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  11. ALA3580858

    Name:
    (S,Z)-2-(1,3-dioxoisoindolin-2-yl)-N'-(4-methoxybenzylidene)-3-phenylpropanShow More

    Mol. Formula:
    C25H21N3O4

    M.W.:
    427.46

    Type:
    Small molecule

    AlogP:
    3.05

    Polar Surface Area:
    88.07

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  12. ALA3580857

    Name:
    (S,Z)-2-(1,3-dioxoisoindolin-2-yl)-N'-(4-methoxybenzylidene)propanehydrazidShow More

    Mol. Formula:
    C19H17N3O4

    M.W.:
    351.36

    Type:
    Small molecule

    AlogP:
    1.83

    Polar Surface Area:
    88.07

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  13. ALA3580856

    Name:
    (2S,3S,Z)-N'-benzylidene-2-(1,3-dioxoisoindolin-2-yl)-3-methylpentanehydrazShow More

    Mol. Formula:
    C21H21N3O3

    M.W.:
    363.42

    Type:
    Small molecule

    AlogP:
    2.85

    Polar Surface Area:
    78.84

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  14. ALA3580855

    Name:
    (S,Z)-N'-benzylidene-2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanehydrazide

    Mol. Formula:
    C24H19N3O3

    M.W.:
    397.43

    Type:
    Small molecule

    AlogP:
    3.04

    Polar Surface Area:
    78.84

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  15. ALA3580853

    Name:
    (S)-2-(1,3-Dioxoisoindolin-2-yl)-3-phenylpropanehydrazide

    Mol. Formula:
    C17H15N3O3

    M.W.:
    309.32

    Type:
    Small molecule

    AlogP:
    0.88

    Polar Surface Area:
    92.50

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  16. ALA3580852

    Name:
    (S)-2-(1,3-Dioxoisoindolin-2-yl)propanehydrazide

    Mol. Formula:
    C11H11N3O3

    M.W.:
    233.23

    Type:
    Small molecule

    AlogP:
    -0.34

    Polar Surface Area:
    92.50

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  17. ALA3580851

    Name:
    (2S,3S)-ethyl 2-(1,3-dioxoisoindolin-2-yl)-3-methylpentanoate

    Mol. Formula:
    C16H19NO4

    M.W.:
    289.33

    Type:
    Small molecule

    AlogP:
    2.26

    Polar Surface Area:
    63.68

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  18. ALA3580850

    Name:
    (S)-Ethyl 2-(1,3-dioxoisoindolin-2-yl)-3-phenylpropanoate

    Mol. Formula:
    C19H17NO4

    M.W.:
    323.35

    Type:
    Small molecule

    AlogP:
    2.46

    Polar Surface Area:
    63.68

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  19. ALA3580666

    Name:
    (S)-Ethyl 2-(1,3-dioxoisoindolin-2-yl)propanoate

    Mol. Formula:
    C13H13NO4

    M.W.:
    247.25

    Type:
    Small molecule

    AlogP:
    1.23

    Polar Surface Area:
    63.68

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  20. ALA3098969

    Name:
    3beta,20(S)-dihydroxydammar-24-en-12beta,23beta-epoxy-20-O-beta-D-glucopyraShow More

    Mol. Formula:
    C36H60O8

    M.W.:
    620.87

    Type:
    Small molecule

    AlogP:
    4.34

    Polar Surface Area:
    128.84

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
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