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  1. ALA5221029

    Name:
    2-((3S,6S,12S,17S)-17-carbamoyl-3-cyclohexyl-12-(3-guanidinopropyl)-7-methyShow More

    Mol. Formula:
    C26H43N9O8

    M.W.:
    609.69

    Type:
    ---

    AlogP:
    -3.02

    Polar Surface Area:
    279.00

    HBA:
    8

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  2. ALA5220898

    Name:
    2-((3S,6S,12S,17S)-17-carbamoyl-3-cyclohexyl-12-(3-guanidinopropyl)-13-methShow More

    Mol. Formula:
    C26H43N9O8

    M.W.:
    609.69

    Type:
    ---

    AlogP:
    -3.02

    Polar Surface Area:
    279.00

    HBA:
    8

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  3. ALA5220791

    Name:
    2-((3S,6S,12S,17S)-17-carbamoyl-3-cyclohexyl-12-(3-guanidinopropyl)-10-methShow More

    Mol. Formula:
    C26H43N9O8

    M.W.:
    609.69

    Type:
    ---

    AlogP:
    -3.02

    Polar Surface Area:
    279.00

    HBA:
    8

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  4. ALA5220367

    Name:
    2-((3S,6S,12S,17S)-17-carbamoyl-3-cyclohexyl-12-(3-guanidinopropyl)-2,5,8,1Show More

    Mol. Formula:
    C25H41N9O8

    M.W.:
    595.66

    Type:
    ---

    AlogP:
    -3.36

    Polar Surface Area:
    287.79

    HBA:
    8

    HBD:
    10

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  5. ALA5200205

    Name:
    (2S)-2-[(7-fluoroquinazolin-4-yl)amino]-4-[2-methoxyethyl-[4-(5,6,7,8-tetraShow More

    Mol. Formula:
    C27H35FN6O3

    M.W.:
    510.61

    Type:
    ---

    AlogP:
    3.75

    Polar Surface Area:
    112.50

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  6. ALA5219601

    Name:
    2-((3S,6S,12S,17S)-17-carbamoyl-3-cyclohexyl-12-(3-guanidinopropyl)-4-methyShow More

    Mol. Formula:
    C26H43N9O8

    M.W.:
    609.69

    Type:
    ---

    AlogP:
    -3.02

    Polar Surface Area:
    279.00

    HBA:
    8

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  7. ALA5219297

    Name:
    2-((3S,6S,12S,17S)-17-carbamoyl-3-cyclohexyl-12-(3-guanidinopropyl)-1-methyShow More

    Mol. Formula:
    C26H43N9O8

    M.W.:
    609.69

    Type:
    ---

    AlogP:
    -3.02

    Polar Surface Area:
    279.00

    HBA:
    8

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  8. ALA5187174

    Name:
    (2S)-4-[2-methoxyethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]aShow More

    Mol. Formula:
    C28H35F3N6O3

    M.W.:
    560.62

    Type:
    ---

    AlogP:
    4.63

    Polar Surface Area:
    112.50

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  9. ALA5184704

    Name:
    (2S)-4-[2-methoxyethyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butyl]aShow More

    Mol. Formula:
    C26H36N8O3

    M.W.:
    508.63

    Type:
    ---

    AlogP:
    2.64

    Polar Surface Area:
    130.32

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  10. ALA5181513

    Name:
    (2S)-4-[[(2R)-2-methoxypropyl]-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-ylShow More

    Mol. Formula:
    C28H38N6O3

    M.W.:
    506.65

    Type:
    ---

    AlogP:
    4.00

    Polar Surface Area:
    112.50

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  11. ALA5170674

    Name:
    (2S)-4-[3,3-difluoropropyl-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)butShow More

    Mol. Formula:
    C27H34F2N6O2

    M.W.:
    512.61

    Type:
    ---

    AlogP:
    4.62

    Polar Surface Area:
    103.27

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  12. bexotegrast

    Name:
    BEXOTEGRAST

    Mol. Formula:
    C27H36N6O3

    M.W.:
    492.62

    Type:
    Small molecule

    AlogP:
    3.61

    Polar Surface Area:
    111.97

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  13. ALA4780301

    Name:
    2-((3S,6S,9S,15S,18S,21S,24S,29aS)-3-(4-aminobutyl)-6,24-dibenzyl-9-(3-guanShow More

    Mol. Formula:
    C51H75N13O11

    M.W.:
    1046.24

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA4592010

    Name:
    Rac-3-(3-Chlorophenyl)-3-((5-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)eShow More

    Mol. Formula:
    C23H24ClN5O3

    M.W.:
    453.93

    Type:
    Unknown

    AlogP:
    4.13

    Polar Surface Area:
    109.26

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  15. ALA4588580

    Name:
    Rac-3-(4-Chlorophenyl)-3-((5-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)eShow More

    Mol. Formula:
    C24H25ClN4O3

    M.W.:
    452.94

    Type:
    Unknown

    AlogP:
    4.74

    Polar Surface Area:
    96.37

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  16. ALA4573716

    Name:
    (3S)-3-(3-(3,5-Dimethyl-1H-pyrazol-1-yl)phenyl)-4-((1R,3R)-1-methyl-3-(2-(5Show More

    Mol. Formula:
    C30H39N5O2

    M.W.:
    501.68

    Type:
    Unknown

    AlogP:
    3.57

    Polar Surface Area:
    82.87

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  17. GSK2603566A

    Name:
    Rac-3-(3-Cyclopropylphenyl)-3-((5-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2Show More

    Mol. Formula:
    C27H30N4O3

    M.W.:
    458.56

    Type:
    Unknown

    AlogP:
    4.96

    Polar Surface Area:
    96.37

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  18. ALA4547961

    Name:
    Rac-3-(3-Fluorophenyl)-3-((5-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)eShow More

    Mol. Formula:
    C24H25FN4O3

    M.W.:
    436.49

    Type:
    Unknown

    AlogP:
    4.22

    Polar Surface Area:
    96.37

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  19. ALA4543688

    Name:
    Rac-3-(3-Chlorophenyl)-3-((5-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)eShow More

    Mol. Formula:
    C23H24ClN5O3

    M.W.:
    453.93

    Type:
    Unknown

    AlogP:
    4.13

    Polar Surface Area:
    109.26

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  20. ALA4539942

    Name:
    Rac-3-(4-Chlorophenyl)-3-((6-(2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)eShow More

    Mol. Formula:
    C23H24ClN5O3

    M.W.:
    453.93

    Type:
    Unknown

    AlogP:
    4.13

    Polar Surface Area:
    109.26

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
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