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  1. ALA3261942

    Name:
    21-Dehyrodichapetalin Q

    Mol. Formula:
    C38H50O5

    M.W.:
    586.81

    Type:
    Small molecule

    AlogP:
    7.11

    Polar Surface Area:
    75.99

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  2. ALA3261940

    Name:
    7-Dehydrodichapetalin G

    Mol. Formula:
    C40H52O7

    M.W.:
    644.85

    Type:
    Small molecule

    AlogP:
    6.75

    Polar Surface Area:
    91.29

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  3. ALA3261939

    Name:
    4''-Demethoxy-7-dihydrodichapetalin W

    Mol. Formula:
    C47H56O9

    M.W.:
    764.96

    Type:
    Small molecule

    AlogP:
    7.14

    Polar Surface Area:
    131.75

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  4. ALA3261937

    Name:
    22-Deoxy-4''-methoxydichapetalin V

    Mol. Formula:
    C48H56O10

    M.W.:
    792.97

    Type:
    Small molecule

    AlogP:
    7.88

    Polar Surface Area:
    137.82

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  5. ALA3261935

    Name:
    25-De-O-acetyldichapetalin P

    Mol. Formula:
    C38H46O7

    M.W.:
    614.78

    Type:
    Small molecule

    AlogP:
    5.46

    Polar Surface Area:
    102.29

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  6. ALA3261934

    Name:
    22-Deoxydichapetalin P

    Mol. Formula:
    C39H46O8

    M.W.:
    642.79

    Type:
    Small molecule

    AlogP:
    7.19

    Polar Surface Area:
    108.36

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  7. ALA2269828

    Name:
    2-(Octadecyl)tetrahydrofuran

    Mol. Formula:
    C22H44O

    M.W.:
    324.59

    Type:
    Small molecule

    AlogP:
    7.82

    Polar Surface Area:
    9.23

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  8. ALA2269827

    Name:
    2-(Heptadecyl)tetrahydrofuran

    Mol. Formula:
    C21H42O

    M.W.:
    310.57

    Type:
    Small molecule

    AlogP:
    7.43

    Polar Surface Area:
    9.23

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  9. ALA2269826

    Name:
    2-(Hexadecyl)tetrahydrofuran

    Cas Number:
    106789-24-6

    Mol. Formula:
    C20H40O

    M.W.:
    296.54

    Type:
    Small molecule

    AlogP:
    7.04

    Polar Surface Area:
    9.23

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  10. ALA2269825

    Name:
    2-pentadecyltetrahydrofuran

    Mol. Formula:
    C19H38O

    M.W.:
    282.51

    Type:
    Small molecule

    AlogP:
    6.65

    Polar Surface Area:
    9.23

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  11. ALA2269824

    Name:
    2-(Tetradecyl)tetrahydrofuran

    Mol. Formula:
    C18H36O

    M.W.:
    268.48

    Type:
    Small molecule

    AlogP:
    6.26

    Polar Surface Area:
    9.23

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  12. ALA2253197

    Name:
    3-Bromo-N-(4-chloro-2-methyl-6-nitrophenyl)-1-(3-c
    Show More

    Mol. Formula:
    C16H10BrCl2N5O3

    M.W.:
    471.10

    Type:
    Small molecule

    AlogP:
    4.81

    Polar Surface Area:
    102.95

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  13. ALA2253195

    Name:
    3-Bromo-N-(4-bromo-2,6-dimethylphenyl)-1-(3-chloro
    Show More

    Mol. Formula:
    C17H13Br2ClN4O

    M.W.:
    484.58

    Type:
    Small molecule

    AlogP:
    5.31

    Polar Surface Area:
    59.81

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  14. ALA2253194

    Name:
    3-Bromo-N-(4-chloro-2,6-dimethylphenyl)-1-(3-chlor
    Show More

    Mol. Formula:
    C17H13BrCl2N4O

    M.W.:
    440.13

    Type:
    Small molecule

    AlogP:
    5.21

    Polar Surface Area:
    59.81

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  15. ALA2253191

    Name:
    3-Bromo-N-(2-bromo-4-nitrophenyl)-1-(3-chloropyrid
    Show More

    Mol. Formula:
    C15H8Br2ClN5O3

    M.W.:
    501.52

    Type:
    Small molecule

    AlogP:
    4.61

    Polar Surface Area:
    102.95

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  16. ALA2253181

    Name:
    3-Bromo-N-(4-chlorophenyl)-1-(3-chloropyridin-2-yl
    Show More

    Mol. Formula:
    C15H9BrCl2N4O

    M.W.:
    412.07

    Type:
    Small molecule

    AlogP:
    4.59

    Polar Surface Area:
    59.81

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  17. ALA2253180

    Name:
    3-Bromo-1-(3-chloropyridin-2-yl)-N-(4-fluorophenyl
    Show More

    Mol. Formula:
    C15H9BrClFN4O

    M.W.:
    395.62

    Type:
    Small molecule

    AlogP:
    4.07

    Polar Surface Area:
    59.81

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  18. ALA2229553

    Name:
    N'-(2,6-Difluorobenzoyl)-N-(morpholinothio)-N-(4-(
    Show More

    Mol. Formula:
    C19H16F5N3O4S

    M.W.:
    477.41

    Type:
    Small molecule

    AlogP:
    4.12

    Polar Surface Area:
    71.11

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  19. ALA2229534

    Name:
    1-(((3'-(2'-Chlorobenzoyl)-1'-(4'-(trifluoromethox
    Show More

    Mol. Formula:
    C30H17ClF8N4O6S

    M.W.:
    748.99

    Type:
    Small molecule

    AlogP:
    8.39

    Polar Surface Area:
    117.28

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  20. ALA2040681

    Name:
    Spinosad

    Mol. Formula:
    C83H132N2O20

    M.W.:
    1477.96

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
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