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  1. ALA2373567

    Name:
    (3S,7S,10R,11S,12S,17S)-7,11-Dihydroxy-8,8,10,12-tetramethyl-3-[(E)-1-methyShow More

    Mol. Formula:
    C29H43NO5

    M.W.:
    485.67

    Type:
    Small molecule

    AlogP:
    4.89

    Polar Surface Area:
    96.72

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  2. ALA2373361

    Name:
    (1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1Show More

    Mol. Formula:
    C29H43NO6

    M.W.:
    501.66

    Type:
    Small molecule

    AlogP:
    4.42

    Polar Surface Area:
    109.25

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  3. ALA2373360

    Name:
    (3S,7S,10R,11S,12S,17R)-7,11-Dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-meShow More

    Mol. Formula:
    C27H41NO6S2

    M.W.:
    539.76

    Type:
    Small molecule

    AlogP:
    4.89

    Polar Surface Area:
    109.25

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  4. ALA2373359

    Name:
    (1S,3S,7S,10R,11S,12S,16R)-7,11-Dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1Show More

    Mol. Formula:
    C29H43NO6

    M.W.:
    501.66

    Type:
    Small molecule

    AlogP:
    4.42

    Polar Surface Area:
    109.25

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  5. ALA2368467

    Name:
    Lateriflorone analogue

    Mol. Formula:
    C35H42O9

    M.W.:
    606.71

    Type:
    Small molecule

    AlogP:
    5.27

    Polar Surface Area:
    106.59

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  6. ALA2368466

    Name:
    Lateriflorone analogue

    Mol. Formula:
    C36H48O10

    M.W.:
    640.77

    Type:
    Small molecule

    AlogP:
    4.61

    Polar Surface Area:
    126.82

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  7. ALA2368465

    Name:
    1-O-methyllateriflorone

    Mol. Formula:
    C34H40O9

    M.W.:
    592.69

    Type:
    Small molecule

    AlogP:
    4.56

    Polar Surface Area:
    114.43

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  8. ALA2304201

    Name:
    Diazonamide A analogue

    Mol. Formula:
    C30H34N4O7

    M.W.:
    562.62

    Type:
    Small molecule

    AlogP:
    2.03

    Polar Surface Area:
    174.02

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  9. ALA2304200

    Name:
    Diazonamide A analogue

    Mol. Formula:
    C33H29BrN4O6

    M.W.:
    657.52

    Type:
    Small molecule

    AlogP:
    5.39

    Polar Surface Area:
    131.79

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  10. ALA2304199

    Name:
    C-37-epi-diazonamide A

    Mol. Formula:
    C40H34Cl2N6O6

    M.W.:
    765.65

    Type:
    Small molecule

    AlogP:
    7.11

    Polar Surface Area:
    167.54

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  11. ALA2021535

    Name:
    (2S,4R)-2-methyl-4-(2-((R)-4-methyl-3-((2S,3R)-3-methyl-2-((R)-pyrrolidine-Show More

    Mol. Formula:
    C33H48ClN5O6S

    M.W.:
    678.30

    Type:
    Small molecule

    AlogP:
    3.59

    Polar Surface Area:
    166.59

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  12. ALA2021534

    Name:
    (2S,4R)-2-methyl-4-(2-((R)-4-methyl-3-((2S,3R)-3-methyl-2-((R)-1-methylpyrrShow More

    Mol. Formula:
    C34H50ClN5O6S

    M.W.:
    692.32

    Type:
    Small molecule

    AlogP:
    3.93

    Polar Surface Area:
    157.80

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  13. ALA2021533

    Name:
    (2S,4R)-2-methyl-4-(2-((R)-4-methyl-3-((2S,3R)-3-methyl-2-((S)-1-methylpyrrShow More

    Mol. Formula:
    C34H50ClN5O6S

    M.W.:
    692.32

    Type:
    Small molecule

    AlogP:
    3.93

    Polar Surface Area:
    157.80

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  14. ALA2021532

    Name:
    (2S,4R)-2-methyl-4-(2-((R)-4-methyl-3-((2S,3R)-3-methyl-2-((S)-1-methylpipeShow More

    Mol. Formula:
    C35H52ClN5O6S

    M.W.:
    706.35

    Type:
    Small molecule

    AlogP:
    4.32

    Polar Surface Area:
    157.80

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  15. ALA2021531

    Name:
    (2S,4R)-2-methyl-4-(2-((R)-4-methyl-3-((2S,3R)-3-methyl-2-((S)-pyrrolidine-Show More

    Mol. Formula:
    C33H48ClN5O6S

    M.W.:
    678.30

    Type:
    Small molecule

    AlogP:
    3.59

    Polar Surface Area:
    166.59

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  16. ALA2021530

    Name:
    (2S,4R)-2-methyl-4-(2-((R)-4-methyl-3-((2S,3R)-3-methyl-2-((R)-1-methylpipeShow More

    Mol. Formula:
    C35H52ClN5O6S

    M.W.:
    706.35

    Type:
    Small molecule

    AlogP:
    4.32

    Polar Surface Area:
    157.80

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  17. ALA1683261

    Name:
    4-Ethoxy-3,3,5-tripropyldesmosdumotin C

    Mol. Formula:
    C26H34O4

    M.W.:
    410.55

    Type:
    Small molecule

    AlogP:
    6.34

    Polar Surface Area:
    63.60

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  18. ALA1683260

    Name:
    3,3,5-Triprenyldesmosdumotin C

    Mol. Formula:
    C31H38O4

    M.W.:
    474.64

    Type:
    Small molecule

    AlogP:
    7.62

    Polar Surface Area:
    63.60

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  19. ALA1683259

    Name:
    3,3,5-Triisopentyldesmosdumotin C

    Mol. Formula:
    C31H44O4

    M.W.:
    480.69

    Type:
    Small molecule

    AlogP:
    7.86

    Polar Surface Area:
    63.60

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  20. ALA1683258

    Name:
    3,3,5-Triisobutyldesmosdumotin C

    Mol. Formula:
    C28H38O4

    M.W.:
    438.61

    Type:
    Small molecule

    AlogP:
    6.69

    Polar Surface Area:
    63.60

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
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