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  1. ALA5282153

    Name:
    Hopeanol

    Mol. Formula:
    C29H22O9

    M.W.:
    514.49

    Type:
    ---

    AlogP:
    3.31

    Polar Surface Area:
    161.59

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  2. ALA5290051

    Name:
    Hopeahainol A

    Mol. Formula:
    C28H16O8

    M.W.:
    480.43

    Type:
    ---

    AlogP:
    3.41

    Polar Surface Area:
    141.36

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  3. ALA5289404

    Name:
    2-(4-(5-amino-3-hydroxy-1H-pyrazol-1-yl)-3-phenylthiazol-2(3H)-ylidene)-malShow More

    Mol. Formula:
    C15H10N6OS

    M.W.:
    322.35

    Type:
    ---

    AlogP:
    2.44

    Polar Surface Area:
    114.89

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  4. ALA5287603

    Name:
    3-(5-(5-amino-3-hydroxy-1H-pyrazol-1-yl)-3-phenylthiazol-2(3H)-ylidene)-penShow More

    Mol. Formula:
    C17H16N4O3S

    M.W.:
    356.41

    Type:
    ---

    AlogP:
    2.57

    Polar Surface Area:
    101.45

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  5. ALA5199670

    Name:
    Neocucurbol C

    Mol. Formula:
    C20H28O4

    M.W.:
    332.44

    Type:
    ---

    AlogP:
    2.23

    Polar Surface Area:
    66.76

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  6. ALA5199561

    Name:
    Neocucurbol G

    Mol. Formula:
    C20H32O2

    M.W.:
    304.47

    Type:
    ---

    AlogP:
    4.08

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  7. ALA5194046

    Name:
    Neocucurbol H

    Mol. Formula:
    C20H32O3

    M.W.:
    320.47

    Type:
    ---

    AlogP:
    3.29

    Polar Surface Area:
    52.99

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  8. ALA5193678

    Name:
    Neocucurbol A

    Mol. Formula:
    C20H28O4

    M.W.:
    332.44

    Type:
    ---

    AlogP:
    1.94

    Polar Surface Area:
    69.92

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  9. ALA5191592

    Name:
    Neocucurbol D

    Mol. Formula:
    C20H28O3

    M.W.:
    316.44

    Type:
    ---

    AlogP:
    2.97

    Polar Surface Area:
    49.69

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  10. ALA5182430

    Name:
    (3aR,5aR,6R,8aR)-3a-hydroxy-3-(2-hydroxyethyl)-5a-methyl-6-[(E,1R,4R)-1,4,5Show More

    Mol. Formula:
    C23H37NO3

    M.W.:
    375.55

    Type:
    ---

    AlogP:
    3.75

    Polar Surface Area:
    60.77

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  11. ALA5181067

    Name:
    Neocucurbol F

    Mol. Formula:
    C20H34O3

    M.W.:
    322.49

    Type:
    ---

    AlogP:
    3.28

    Polar Surface Area:
    60.69

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  12. ALA5180844

    Name:
    Neocucurbol E

    Mol. Formula:
    C20H32O2

    M.W.:
    304.47

    Type:
    ---

    AlogP:
    4.08

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  13. ALA5178240

    Name:
    Phomeroid B

    Mol. Formula:
    C34H42O9

    M.W.:
    594.70

    Type:
    ---

    AlogP:
    4.59

    Polar Surface Area:
    128.59

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  14. ALA5178049

    Name:
    Neocucurbol B

    Mol. Formula:
    C20H28O4

    M.W.:
    332.44

    Type:
    ---

    AlogP:
    1.94

    Polar Surface Area:
    69.92

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  15. ALA5172710

    Name:
    Photeroid A

    Mol. Formula:
    C23H32O3

    M.W.:
    356.51

    Type:
    ---

    AlogP:
    4.77

    Polar Surface Area:
    49.69

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  16. ALA5172450

    Name:
    Photeroid B

    Mol. Formula:
    C23H30O2

    M.W.:
    338.49

    Type:
    ---

    AlogP:
    5.58

    Polar Surface Area:
    29.46

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  17. ALA4876715

    Name:
    Drimianin B; 3beta-ethoxy-11beta,14beta-dihydroxybufa-4,20,22-trienolide

    Mol. Formula:
    C26H36O5

    M.W.:
    428.57

    Type:
    Unknown

    AlogP:
    4.18

    Polar Surface Area:
    79.90

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  18. ALA4867344

    Name:
    Difluostatin I

    Mol. Formula:
    C36H22N2O10

    M.W.:
    642.58

    Type:
    Unknown

    AlogP:
    4.18

    Polar Surface Area:
    196.48

    HBA:
    12

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  19. ALA4867036

    Name:
    Drimianin F; 3a,11beta,14beta-trihydroxybufa-4,20,22-trienolide

    Mol. Formula:
    C24H32O5

    M.W.:
    400.51

    Type:
    Unknown

    AlogP:
    3.13

    Polar Surface Area:
    90.90

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  20. ALA4866957

    Name:
    Drimianin E; 3beta-(O-beta-D-glucopyranoside)-11beta,14beta,19-trihydroxybuShow More

    Mol. Formula:
    C30H42O11

    M.W.:
    578.66

    Type:
    Unknown

    AlogP:
    -0.07

    Polar Surface Area:
    190.28

    HBA:
    11

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
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