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  1. ALA4513934

    Name:
    (R)-Ganocapenoid D

    Mol. Formula:
    C16H18O5

    M.W.:
    290.31

    Type:
    Unknown

    AlogP:
    2.34

    Polar Surface Area:
    86.99

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  2. ALA4474490

    Name:
    (R)-Ganocapenoid A

    Mol. Formula:
    C21H26O6

    M.W.:
    374.43

    Type:
    Unknown

    AlogP:
    3.04

    Polar Surface Area:
    107.22

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  3. ALA4522037

    Name:
    3-Phenylpropyl 2,3-dihydroxybenzoate

    Mol. Formula:
    C16H16O4

    M.W.:
    272.30

    Type:
    Unknown

    AlogP:
    2.89

    Polar Surface Area:
    66.76

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  4. ALA4520893

    Name:
    (E)-4-(Dec-1-en-1-yl)benzyl 2,3-dihydroxybenzoate

    Mol. Formula:
    C24H30O4

    M.W.:
    382.50

    Type:
    Unknown

    AlogP:
    6.22

    Polar Surface Area:
    66.76

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  5. ALA4557711

    Name:
    Fusaripeptide A

    Mol. Formula:
    C46H75N7O11

    M.W.:
    902.14

    Type:
    Unknown

    AlogP:
    2.45

    Polar Surface Area:
    284.45

    HBA:
    11

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  6. ALA4527129

    Name:
    Ganocapenoid B

    Mol. Formula:
    C16H16O4

    M.W.:
    272.30

    Type:
    Unknown

    AlogP:
    3.12

    Polar Surface Area:
    66.76

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  7. ALA4548589

    Name:
    10-Phenyldecyl 2,3-dihydroxybenzoate

    Mol. Formula:
    C23H30O4

    M.W.:
    370.49

    Type:
    Unknown

    AlogP:
    5.62

    Polar Surface Area:
    66.76

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  8. ALA4745636

    Name:
    (3aS,9aS)-2-methoxy-2-methyl-3,3a,5,7,8,9-hexahydr
    Show More

    Mol. Formula:
    C12H18O3

    M.W.:
    210.27

    Type:
    Unknown

    AlogP:
    2.02

    Polar Surface Area:
    27.69

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.62

    DETAILS
  9. ALA4745627

    Name:
    (E)-4-(3-(3-(4-fluorophenyl)acryloyl)-2-oxoimidazo
    Show More

    Mol. Formula:
    C20H14FN3O3

    M.W.:
    363.35

    Type:
    Unknown

    AlogP:
    2.82

    Polar Surface Area:
    81.48

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  10. ALA4745390

    Name:
    4-(2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydrox
    Show More

    Mol. Formula:
    C25H26O8

    M.W.:
    454.48

    Type:
    Unknown

    AlogP:
    1.42

    Polar Surface Area:
    125.68

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  11. ALA4745340

    Name:
    (S)-5-amino-2-((2S,3S)-2-((S)-2-((S)-2-amino-3-met
    Show More

    Mol. Formula:
    C21H39N5O6

    M.W.:
    457.57

    Type:
    Unknown

    AlogP:
    -0.52

    Polar Surface Area:
    193.71

    HBA:
    6

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  12. ALA4745276

    Name:
    NA

    Mol. Formula:
    C24H29FO6

    M.W.:
    432.49

    Type:
    Unknown

    AlogP:
    2.86

    Polar Surface Area:
    85.22

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  13. ALA4745219

    Name:
    4-(2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydrox
    Show More

    Mol. Formula:
    C24H30O8

    M.W.:
    446.50

    Type:
    Unknown

    AlogP:
    1.22

    Polar Surface Area:
    125.68

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  14. ALA4744720

    Name:
    7beta,11alpha-dihydroxyl-3,20-dioxo-30-norlupane-2
    Show More

    Mol. Formula:
    C29H44O6

    M.W.:
    488.67

    Type:
    Unknown

    AlogP:
    4.25

    Polar Surface Area:
    111.90

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  15. ALA4744019

    Name:
    4-(2-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydrox
    Show More

    Mol. Formula:
    C22H23F3O8

    M.W.:
    472.41

    Type:
    Unknown

    AlogP:
    1.28

    Polar Surface Area:
    125.68

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  16. ALA4743682

    Name:
    (E)-1-(3-(4-fluorophenyl)acryloyl)-3-(thiophene-2-
    Show More

    Mol. Formula:
    C17H13FN2O3S

    M.W.:
    344.37

    Type:
    Unknown

    AlogP:
    3.01

    Polar Surface Area:
    57.69

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  17. ALA4743678

    Name:
    (S)-2-((2S,3S)-2-((S)-2-((S)-2-amino-3-methylbutan
    Show More

    Mol. Formula:
    C20H38N4O5

    M.W.:
    414.55

    Type:
    Unknown

    AlogP:
    0.62

    Polar Surface Area:
    150.62

    HBA:
    5

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  18. ALA4743633

    Name:
    (S)-2-((2S,3S)-2-(2-((S)-1-((S)-2-amino-3-methylbu
    Show More

    Mol. Formula:
    C20H36N4O5

    M.W.:
    412.53

    Type:
    Unknown

    AlogP:
    0.47

    Polar Surface Area:
    141.83

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  19. ALA4743392

    Name:
    (E)-1-(3-(benzo[d][1,3]dioxol-5-yl)acryloyl)-3-piv
    Show More

    Mol. Formula:
    C18H20N2O5

    M.W.:
    344.37

    Type:
    Unknown

    AlogP:
    2.27

    Polar Surface Area:
    76.15

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  20. ALA4743378

    Name:
    ((2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(4-hydroxyphe
    Show More

    Mol. Formula:
    C16H22O8

    M.W.:
    342.34

    Type:
    Unknown

    AlogP:
    -0.68

    Polar Surface Area:
    125.68

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
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