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  1. ALA4878771

    Name:
    NA

    Mol. Formula:
    C73H87N17O11S2

    M.W.:
    1442.74

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA4876757

    Name:
    2,2',2''-((1R,5S,8S,12S,16S,20S,23R,26S,29S,32S,35
    Show More

    Mol. Formula:
    C84H104N20O21S2

    M.W.:
    1794.01

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA4875336

    Name:
    N-(4-(3-fluorobenzyloxy)phenyl)-3-phenylisoxazolo[
    Show More

    Mol. Formula:
    C24H17FN4O2

    M.W.:
    412.42

    Type:
    Unknown

    AlogP:
    5.75

    Polar Surface Area:
    73.07

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  4. ALA4874525

    Name:
    NA

    Mol. Formula:
    C98H124N24O23S2

    M.W.:
    2070.35

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA4873736

    Name:
    NA

    Mol. Formula:
    C92H115N21O19S2

    M.W.:
    1883.19

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA4872992

    Name:
    NA

    Mol. Formula:
    C68H104N18O20S2

    M.W.:
    1557.82

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA1097418

    Name:
    merulins C

    Mol. Formula:
    C14H22O5

    M.W.:
    270.32

    Type:
    Small molecule

    AlogP:
    0.97

    Polar Surface Area:
    75.99

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  8. ALA1098423

    Name:
    merulins B

    Mol. Formula:
    C14H22O5

    M.W.:
    270.32

    Type:
    Small molecule

    AlogP:
    0.97

    Polar Surface Area:
    75.99

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  9. ALA4861037

    Name:
    2,2'-((6S,10R,13S,16S,19S,22S,26R,29S,31aR,36aS)-1
    Show More

    Mol. Formula:
    C74H88N16O14

    M.W.:
    1425.62

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA4849365

    Name:
    NA

    Mol. Formula:
    C92H115N21O19S2

    M.W.:
    1883.19

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA4847844

    Name:
    Sipholenol A-4-O-3',4'-dichlorobenzoate

    Mol. Formula:
    C37H54Cl2O6

    M.W.:
    665.74

    Type:
    Unknown

    AlogP:
    8.31

    Polar Surface Area:
    96.22

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  12. ALA4781556

    Name:
    (4-((4-Bromophenyl)sulfonyl)piperazin-1-yl)(1-(4-f
    Show More

    Mol. Formula:
    C20H19BrFN5O3S

    M.W.:
    508.37

    Type:
    Unknown

    AlogP:
    2.37

    Polar Surface Area:
    88.40

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  13. ALA4847480

    Name:
    NA

    Mol. Formula:
    C81H97N19O17S2

    M.W.:
    1672.92

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA4757392

    Name:
    (1-Benzyl-1H-1,2,3-triazol-4-yl)(4-tosylpiperazin-
    Show More

    Mol. Formula:
    C21H23N5O3S

    M.W.:
    425.51

    Type:
    Unknown

    AlogP:
    1.78

    Polar Surface Area:
    88.40

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  15. ALA4756332

    Name:
    (4-((4-Bromophenyl)sulfonyl)piperazin-1-yl)(1-(4-i
    Show More

    Mol. Formula:
    C20H19BrIN5O3S

    M.W.:
    616.28

    Type:
    Unknown

    AlogP:
    2.84

    Polar Surface Area:
    88.40

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  16. ALA5267430

    Name:
    3-((3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-trimethyldeca
    Show More

    Mol. Formula:
    C34H54N2O9

    M.W.:
    634.81

    Type:
    ---

    AlogP:
    4.87

    Polar Surface Area:
    128.96

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  17. ALA5266942

    Name:
    (S,E)-2-Acetyl-3,7,9-trihydroxy-8,9b-dimethyl-6-(3
    Show More

    Mol. Formula:
    C26H19F3O8

    M.W.:
    516.42

    Type:
    ---

    AlogP:
    4.72

    Polar Surface Area:
    130.36

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  18. ALA5206752

    Name:
    (S)-2-((S)-2-(dimethylamino)-3-methylbutanamido)-N
    Show More

    Mol. Formula:
    C39H65N5O7

    M.W.:
    715.98

    Type:
    ---

    AlogP:
    3.17

    Polar Surface Area:
    137.59

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  19. ALA5202183

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

    Mol. Formula:
    C39H66F2N6O6

    M.W.:
    752.99

    Type:
    ---

    AlogP:
    3.21

    Polar Surface Area:
    146.54

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  20. ALA5201949

    Name:

    Mol. Formula:
    C46H74N4O3S

    M.W.:
    763.19

    Type:
    ---

    AlogP:
    10.00

    Polar Surface Area:
    90.54

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    26

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
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