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  1. ALA5285535

    Name:
    1-(3-{6,7-diphenyl-5H-[1,2,4]triazolo[3,4-b][1,3,4
    Show More

    Mol. Formula:
    C37H28N6OS

    M.W.:
    604.74

    Type:
    ---

    AlogP:
    8.04

    Polar Surface Area:
    66.29

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  2. ALA4532243

    Name:
    ethyl 2-(3',5'-dimethylanilino)-4-oxo-4,5-dihydrof
    Show More

    Mol. Formula:
    C15H17NO4

    M.W.:
    275.30

    Type:
    Unknown

    AlogP:
    2.09

    Polar Surface Area:
    64.63

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  3. ALA4578826

    Name:
    ethyl 2-(2-bromoanilino)-4-oxo-4,5-dihydrofuran-3-
    Show More

    Mol. Formula:
    C13H12BrNO4

    M.W.:
    326.15

    Type:
    Unknown

    AlogP:
    2.23

    Polar Surface Area:
    64.63

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  4. ALA4471302

    Name:
    ethyl 2-(3-bromoanilino)-4-oxo-4,5-dihydrofuran-3-
    Show More

    Mol. Formula:
    C13H12BrNO4

    M.W.:
    326.15

    Type:
    Unknown

    AlogP:
    2.23

    Polar Surface Area:
    64.63

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  5. ALA4463917

    Name:
    ethyl 2-(2-chloroanilino)-4-oxo-4,5-dihydrofuran-3
    Show More

    Mol. Formula:
    C13H12ClNO4

    M.W.:
    281.69

    Type:
    Unknown

    AlogP:
    2.13

    Polar Surface Area:
    64.63

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  6. ALA1673368

    Name:
    (2S,3R,4S,5R,6S)-6-((2S,3S,4R)-2-(11-(4-(4-fluorop
    Show More

    Mol. Formula:
    C47H74FNO11

    M.W.:
    848.10

    Type:
    Small molecule

    AlogP:
    7.88

    Polar Surface Area:
    195.24

    HBA:
    10

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    33

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  7. ALA1673367

    Name:
    (2S,3R,4S,5R,6S)-6-((2S,3S,4R)-2-(11-(4-fluorophen
    Show More

    Mol. Formula:
    C41H70FNO10

    M.W.:
    756.01

    Type:
    Small molecule

    AlogP:
    6.09

    Polar Surface Area:
    186.01

    HBA:
    9

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    31

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  8. ALA1231634

    Name:
    N-((2S,3S,4R)-3,4-dihydroxy-1-((2S,3R,4S,5R,6R)-3,
    Show More

    Mol. Formula:
    C38H66FNO9

    M.W.:
    699.94

    Type:
    Small molecule

    AlogP:
    4.82

    Polar Surface Area:
    168.94

    HBA:
    9

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    28

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  9. ALA606758

    Name:
    Pretazettine

    Mol. Formula:
    C18H21NO5

    M.W.:
    331.37

    Type:
    Small molecule

    AlogP:
    1.33

    Polar Surface Area:
    60.39

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  10. ALA586091

    Name:
    Pseudolycorine

    Cas Number:
    82372-67-6

    Mol. Formula:
    C16H19NO4

    M.W.:
    289.33

    Type:
    Small molecule

    AlogP:
    0.73

    Polar Surface Area:
    73.16

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  11. ALA478768

    Name:
    (2S,3R,4S,4aR,11bS)-6-oxo-1,2,3,4,4a,5,6,11b-octah
    Show More

    Mol. Formula:
    C22H23NO11

    M.W.:
    477.42

    Type:
    Small molecule

    AlogP:
    0.73

    Polar Surface Area:
    152.76

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  12. ALA513930

    Name:
    7-deoxy-cis-dihydronarciclasine

    Mol. Formula:
    C14H15NO6

    M.W.:
    293.28

    Type:
    Small molecule

    AlogP:
    -0.90

    Polar Surface Area:
    108.25

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  13. ALA476487

    Name:
    7-deoxyisonarciclasine

    Mol. Formula:
    C14H13NO6

    M.W.:
    291.26

    Type:
    Small molecule

    AlogP:
    -0.43

    Polar Surface Area:
    112.01

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  14. ALA476486

    Name:
    Isonarciclasine

    Mol. Formula:
    C14H13NO7

    M.W.:
    307.26

    Type:
    Small molecule

    AlogP:
    -0.73

    Polar Surface Area:
    132.24

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  15. ALA516095

    Name:
    (1S,4aS,11bR)-1-hydroxy-1,4a,5,11b-tetrahydro-[1,3
    Show More

    Mol. Formula:
    C14H13NO4

    M.W.:
    259.26

    Type:
    Small molecule

    AlogP:
    0.93

    Polar Surface Area:
    67.79

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  16. ALA478802

    Name:
    (1R,2R,4aS,11bR)-1,2-dihydroxy-1,2,4a,5-tetrahydro
    Show More

    Mol. Formula:
    C14H13NO5

    M.W.:
    275.26

    Type:
    Small molecule

    AlogP:
    -0.10

    Polar Surface Area:
    88.02

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  17. ALA517360

    Name:
    (1R,2R,4aS,11bR)-2-hydroxy-1-(tetrahydro-2H-pyran-
    Show More

    Mol. Formula:
    C19H21NO6

    M.W.:
    359.38

    Type:
    Small molecule

    AlogP:
    1.45

    Polar Surface Area:
    86.25

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  18. ALA478801

    Name:
    4aH-r,1H-trans,2H-cis,3H-cis,10bH-trans-1,2,3-trih
    Show More

    Mol. Formula:
    C14H15NO6

    M.W.:
    293.28

    Type:
    Small molecule

    AlogP:
    -0.90

    Polar Surface Area:
    108.25

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  19. ALA478100

    Name:
    (1R,2S,3S,4S,4aR,11bR)-1-hydroxy-6-oxo-1,2,3,4,4a,
    Show More

    Mol. Formula:
    C20H21NO10

    M.W.:
    435.39

    Type:
    Small molecule

    AlogP:
    -0.22

    Polar Surface Area:
    146.69

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  20. ALA516115

    Name:
    7-deoxypancratistatin tetraacetate

    Mol. Formula:
    C22H23NO11

    M.W.:
    477.42

    Type:
    Small molecule

    AlogP:
    0.35

    Polar Surface Area:
    152.76

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
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