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  1. ALA4475327

    Name:
    6-chloro-N'-isonicotinoyl-2-methyl-4-(pyridin-2-yl
    Show More

    Mol. Formula:
    C23H17ClN6O2S

    M.W.:
    476.95

    Type:
    Unknown

    AlogP:
    3.89

    Polar Surface Area:
    99.58

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  2. ALA4572391

    Name:
    N'-isonicotinoyl-8-methoxy-2-methyl-4-(pyridin-2-y
    Show More

    Mol. Formula:
    C24H20N6O3S

    M.W.:
    472.53

    Type:
    Unknown

    AlogP:
    3.24

    Polar Surface Area:
    108.81

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  3. ALA4578301

    Name:
    8-hydroxy-N'-isonicotinoyl-2-methyl-4-(pyridin-2-y
    Show More

    Mol. Formula:
    C23H18N6O3S

    M.W.:
    458.50

    Type:
    Unknown

    AlogP:
    2.94

    Polar Surface Area:
    119.81

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  4. ALA4463862

    Name:
    8-bromo-N'-isonicotinoyl-2-methyl-4-(pyridin-2-yl)
    Show More

    Mol. Formula:
    C23H17BrN6O2S

    M.W.:
    521.40

    Type:
    Unknown

    AlogP:
    4.00

    Polar Surface Area:
    99.58

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  5. ALA4461663

    Name:
    8-chloro-N'-isonicotinoyl-2-methyl-4-(pyridin-2-yl
    Show More

    Mol. Formula:
    C23H17ClN6O2S

    M.W.:
    476.95

    Type:
    Unknown

    AlogP:
    3.89

    Polar Surface Area:
    99.58

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  6. ALA4466209

    Name:
    N'-isonicotinoyl-6-methoxy-2-methyl-4-(pyridin-2-y
    Show More

    Mol. Formula:
    C24H20N6O3S

    M.W.:
    472.53

    Type:
    Unknown

    AlogP:
    3.24

    Polar Surface Area:
    108.81

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  7. ALA4473310

    Name:
    N'-isonicotinoyl-2-methyl-4-(pyridin-2-yl)-8-(trif
    Show More

    Mol. Formula:
    C24H17F3N6O3S

    M.W.:
    526.50

    Type:
    Unknown

    AlogP:
    4.13

    Polar Surface Area:
    108.81

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  8. ALA4068694

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

    Mol. Formula:
    C51H61N7O6

    M.W.:
    868.09

    Type:
    Small molecule

    AlogP:
    7.91

    Polar Surface Area:
    208.22

    HBA:
    11

    HBD:
    4

    #RO5 Violations:
    3

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  9. ALA3822476

    Name:
    1-[[(2S)-2-[[2-[[1-[[2-[[1-[[(2S)-2-[[1-[[2-[[1-[[
    Show More

    Mol. Formula:
    C115H187N27O21

    M.W.:
    2283.93

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA3822471

    Name:
    1-(2-(1-((S)-2-(2-acetamidoacetamido)-3-phenylprop
    Show More

    Mol. Formula:
    C111H179N27O21

    M.W.:
    2227.82

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA3823170

    Name:
    1-((S)-2-(2-acetamidoacetamido)-3-phenylpropanamid
    Show More

    Mol. Formula:
    C108H173N39O21

    M.W.:
    2353.82

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA3823964

    Name:
    1-((S)-2-(2-acetamidoacetamido)-3-phenylpropanamid
    Show More

    Mol. Formula:
    C108H173N27O21

    M.W.:
    2185.74

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA3823648

    Name:
    1-((S)-2-(2-acetamidoacetamido)-3-phenylpropanamid
    Show More

    Mol. Formula:
    C97H151N27O21

    M.W.:
    2031.44

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA3823565

    Name:
    1-((S)-2-(2-acetamidoacetamido)-3-phenylpropanamid
    Show More

    Mol. Formula:
    C103H163N27O21

    M.W.:
    2115.61

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA3824066

    Name:
    1-((S)-2-(2-acetamidoacetamido)-3-phenylpropanamid
    Show More

    Mol. Formula:
    C109H175N27O21

    M.W.:
    2199.77

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA3822634

    Name:
    1-((S)-2-(2-acetamidoacetamido)-3-phenylpropanamid
    Show More

    Mol. Formula:
    C115H187N39O21

    M.W.:
    2452.01

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  17. ALA3824252

    Name:
    1-((S)-2-(2-acetamidoacetamido)-3-phenylpropanamid
    Show More

    Mol. Formula:
    C127H211N31O23

    M.W.:
    2540.28

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  18. ALA4519554

    Name:
    N'-isonicotinoyl-2-methyl-4-(pyridin-2-yl)-4H-benz
    Show More

    Mol. Formula:
    C23H18N6O2S

    M.W.:
    442.50

    Type:
    Unknown

    AlogP:
    3.23

    Polar Surface Area:
    99.58

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  19. ALA4564558

    Name:
    8-fluoro-N'-isonicotinoyl-2-methyl-4-(pyridin-2-yl
    Show More

    Mol. Formula:
    C23H17FN6O2S

    M.W.:
    460.49

    Type:
    Unknown

    AlogP:
    3.37

    Polar Surface Area:
    99.58

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  20. ALA4649255

    Name:
    (2E/Z,6Z)-3,7,11-trimethyl-N-(3-(pyrrolidin-1-yl)p
    Show More

    Mol. Formula:
    C22H40N2

    M.W.:
    332.58

    Type:
    Unknown

    AlogP:
    5.48

    Polar Surface Area:
    15.27

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
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