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  1. ALA4558100

    Name:
    Noursamycin A

    Mol. Formula:
    C40H54ClN9O8

    M.W.:
    824.38

    Type:
    Unknown

    AlogP:
    -0.18

    Polar Surface Area:
    279.73

    HBA:
    9

    HBD:
    10

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  2. ALA4515489

    Name:
    Divergolide C

    Mol. Formula:
    C31H35NO8

    M.W.:
    549.62

    Type:
    Unknown

    AlogP:
    4.83

    Polar Surface Area:
    153.39

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  3. ALA4473032

    Name:
    Divergolide B

    Mol. Formula:
    C31H37NO7

    M.W.:
    535.64

    Type:
    Unknown

    AlogP:
    5.53

    Polar Surface Area:
    122.16

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  4. ALA5282916

    Name:
    Epiccocarines A

    Mol. Formula:
    C23H31NO4

    M.W.:
    385.50

    Type:
    ---

    AlogP:
    4.22

    Polar Surface Area:
    86.63

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  5. ALA5269058

    Name:
    Epiccocarines B

    Mol. Formula:
    C23H31NO5

    M.W.:
    401.50

    Type:
    ---

    AlogP:
    3.71

    Polar Surface Area:
    106.86

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  6. ALA5209453

    Name:
    2-((3R,4R)-3,4-dihydroxy-4-phenylpiperidin-1-yl)-8
    Show More

    Mol. Formula:
    C20H16F3N3O5S

    M.W.:
    467.43

    Type:
    ---

    AlogP:
    3.04

    Polar Surface Area:
    116.80

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  7. ALA5208937

    Name:
    2-(hexyl(methyl)amino)-8-nitro-6-(trifluoromethyl)
    Show More

    Mol. Formula:
    C16H18F3N3O3S

    M.W.:
    389.40

    Type:
    ---

    AlogP:
    4.60

    Polar Surface Area:
    76.34

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  8. ALA5208732

    Name:
    8-nitro-2-(2-phenyl-7,8-dihydropyrido[4,3-d]pyrimi
    Show More

    Mol. Formula:
    C22H14F3N5O3S

    M.W.:
    485.45

    Type:
    ---

    AlogP:
    4.60

    Polar Surface Area:
    102.12

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  9. ALA5208588

    Name:
    2-(3-methyl-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyra
    Show More

    Mol. Formula:
    C15H11F3N6O3S

    M.W.:
    412.35

    Type:
    ---

    AlogP:
    2.50

    Polar Surface Area:
    107.05

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  10. ALA5208468

    Name:
    2-((3R,4R)-3-Hydroxy-4-phenylpiperidin-1-yl)-8-nit
    Show More

    Mol. Formula:
    C20H16F3N3O4S

    M.W.:
    451.43

    Type:
    ---

    AlogP:
    3.94

    Polar Surface Area:
    96.57

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  11. ALA5208270

    Name:
    2-(4-((1-methylpiperidin-4-yl)oxy)piperidin-1-yl)-
    Show More

    Mol. Formula:
    C20H23F3N4O4S

    M.W.:
    472.49

    Type:
    ---

    AlogP:
    3.66

    Polar Surface Area:
    88.81

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  12. ALA5207751

    Name:
    8-Nitro-2-(4-((1-(2,2,2-trifluoroethyl)piperidin-4
    Show More

    Mol. Formula:
    C21H22F6N4O4S

    M.W.:
    540.49

    Type:
    ---

    AlogP:
    4.60

    Polar Surface Area:
    88.81

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  13. ALA5207582

    Name:
    2-(1-ethyl-2-phenyl-4,6-dihydropyrrolo[3,4-d]imida
    Show More

    Mol. Formula:
    C22H16F3N5O3S

    M.W.:
    487.46

    Type:
    ---

    AlogP:
    4.99

    Polar Surface Area:
    94.16

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  14. ALA5206457

    Name:
    8-nitro-2-(4-phenethylpiperazin-1-yl)-6-(trifluoro
    Show More

    Mol. Formula:
    C21H19F3N4O3S

    M.W.:
    464.47

    Type:
    ---

    AlogP:
    3.95

    Polar Surface Area:
    79.58

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  15. ALA5206453

    Name:
    8-nitro-2-(4-(2-oxo-2-(pyrrolidin-1-yl)ethyl)piper
    Show More

    Mol. Formula:
    C19H20F3N5O4S

    M.W.:
    471.46

    Type:
    ---

    AlogP:
    2.33

    Polar Surface Area:
    99.89

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  16. ALA5205537

    Name:
    2-((4-(hydroxymethyl)phenyl)amino)-8-nitro-6-(trif
    Show More

    Mol. Formula:
    C16H10F3N3O4S

    M.W.:
    397.33

    Type:
    ---

    AlogP:
    3.82

    Polar Surface Area:
    105.36

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  17. ALA5204154

    Name:
    8-nitro-2-(2-phenyl-5,6-dihydro-[1,2,4]triazolo[1,
    Show More

    Mol. Formula:
    C20H13F3N6O3S

    M.W.:
    474.42

    Type:
    ---

    AlogP:
    3.86

    Polar Surface Area:
    107.05

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  18. ALA5203558

    Name:
    2-((1H-indazol-5-yl)(methyl)amino)-8-nitro-6-(trif
    Show More

    Mol. Formula:
    C17H10F3N5O3S

    M.W.:
    421.36

    Type:
    ---

    AlogP:
    4.23

    Polar Surface Area:
    105.02

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  19. ALA5203546

    Name:
    2-(4-(2-(1-methylpiperidin-4-yl)ethyl)piperidin-1-
    Show More

    Mol. Formula:
    C22H27F3N4O3S

    M.W.:
    484.54

    Type:
    ---

    AlogP:
    4.92

    Polar Surface Area:
    79.58

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  20. ALA5203104

    Name:
    2-(benzyl(butyl)amino)-8-nitro-6-(trifluoromethyl)
    Show More

    Mol. Formula:
    C20H18F3N3O3S

    M.W.:
    437.44

    Type:
    ---

    AlogP:
    5.39

    Polar Surface Area:
    76.34

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
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