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  1. ALA5093878

    Name:

    Mol. Formula:
    C137H201N41O44S6

    M.W.:
    3318.76

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA5091679

    Name:

    Mol. Formula:
    C137H206N40O44S6

    M.W.:
    3309.79

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA5091623

    Name:

    Mol. Formula:
    C133H207N41O44S6

    M.W.:
    3276.76

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA5084333

    Name:

    Mol. Formula:
    C135H204N42O43S7

    M.W.:
    3327.84

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA5083412

    Name:

    Mol. Formula:
    C133H206N40O44S6

    M.W.:
    3261.75

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA5082582

    Name:

    Mol. Formula:
    C140H208N42O44S6

    M.W.:
    3375.86

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA5077579

    Name:

    Mol. Formula:
    C137H206N40O45S6

    M.W.:
    3325.79

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA4447866

    Name:
    Presilphiperfolane-7alpha,8alpha-diol; rel-(2aS,2a1S,4aR,7R,7aS)-2a,4,4,7-tShow More

    Mol. Formula:
    C15H26O2

    M.W.:
    238.37

    Type:
    Unknown

    AlogP:
    2.72

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.68

    DETAILS
  9. ALA3589419

    Name:
    4',5-dihydroxy-7-methoxy-6,8-dimethylisoflavone

    Mol. Formula:
    C18H16O5

    M.W.:
    312.32

    Type:
    Small molecule

    AlogP:
    3.50

    Polar Surface Area:
    79.90

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  10. ALA3581167

    Name:
    adametizine A

    Mol. Formula:
    C21H23ClN2O8S2

    M.W.:
    531.01

    Type:
    Small molecule

    AlogP:
    1.18

    Polar Surface Area:
    129.00

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  11. ALA3577260

    Name:
    variecolortide C

    Mol. Formula:
    C35H29N3O7

    M.W.:
    603.63

    Type:
    Small molecule

    AlogP:
    4.71

    Polar Surface Area:
    149.98

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  12. ALA3577259

    Name:
    variecolortide B

    Mol. Formula:
    C34H27N3O7

    M.W.:
    589.60

    Type:
    Small molecule

    AlogP:
    4.41

    Polar Surface Area:
    160.98

    HBA:
    7

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  13. ALA3577258

    Name:
    dehydroechinulin

    Mol. Formula:
    C34H45N3O2

    M.W.:
    527.75

    Type:
    Small molecule

    AlogP:
    7.13

    Polar Surface Area:
    73.99

    HBA:
    2

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  14. ALA3577257

    Name:
    Rubrumazine C

    Mol. Formula:
    C24H33N3O4

    M.W.:
    427.55

    Type:
    Small molecule

    AlogP:
    1.85

    Polar Surface Area:
    114.45

    HBA:
    4

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  15. ALA3409092

    Name:
    Mansonrin C

    Mol. Formula:
    C14H14O3

    M.W.:
    230.26

    Type:
    Small molecule

    AlogP:
    2.91

    Polar Surface Area:
    39.44

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.65

    DETAILS
  16. ALA3409091

    Name:
    Mansonrin B

    Mol. Formula:
    C14H16O3

    M.W.:
    232.28

    Type:
    Small molecule

    AlogP:
    3.24

    Polar Surface Area:
    50.44

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  17. ALA3409090

    Name:
    Mansonrin A

    Mol. Formula:
    C15H18O3

    M.W.:
    246.31

    Type:
    Small molecule

    AlogP:
    3.54

    Polar Surface Area:
    39.44

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  18. ALA3286772

    Name:
    isaridins B

    Mol. Formula:
    C40H55N5O7

    M.W.:
    717.91

    Type:
    Small molecule

    AlogP:
    2.98

    Polar Surface Area:
    145.43

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  19. ALA3286771

    Name:
    isaridins A

    Mol. Formula:
    C39H53N5O7

    M.W.:
    703.88

    Type:
    Small molecule

    AlogP:
    2.74

    Polar Surface Area:
    145.43

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  20. ALA3286770

    Name:
    desmethylisaridin C1

    Mol. Formula:
    C35H53N5O7

    M.W.:
    655.84

    Type:
    Small molecule

    AlogP:
    2.20

    Polar Surface Area:
    154.22

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
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