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  1. ALA5208481

    Name:
    (E/Z)-2-(2-buten-1-yl)-3-hydroxy-1,4-naphthoquinon
    Show More

    Mol. Formula:
    C14H12O3

    M.W.:
    228.25

    Type:
    ---

    AlogP:
    2.84

    Polar Surface Area:
    54.37

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.79

    DETAILS
  2. ALA5193158

    Name:
    Mollisin

    Cas Number:
    667-92-5

    Mol. Formula:
    C14H10Cl2O4

    M.W.:
    313.14

    Type:
    ---

    AlogP:
    3.01

    Polar Surface Area:
    71.44

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  3. ALA5172463

    Name:
    methyl-3-methoxy-4-(3-(4-(2-methyl-1,3-dioxolan-2-
    Show More

    Mol. Formula:
    C24H26O8

    M.W.:
    442.46

    Type:
    ---

    AlogP:
    2.96

    Polar Surface Area:
    105.20

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  4. ALA4527301

    Name:
    N-[3-chloro-4-(3-fluorobenzyloxy)phenyl]-2-(furan-
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    Mol. Formula:
    C23H16ClFN4O2

    M.W.:
    434.86

    Type:
    Unknown

    AlogP:
    6.33

    Polar Surface Area:
    75.97

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  5. ALA4088145

    Name:
    N-(6-Methyl-3-(phenylthio)pyrido[2,3-b]pyrazin-7-y
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    Mol. Formula:
    C21H15ClFN5OS

    M.W.:
    439.90

    Type:
    Small molecule

    AlogP:
    5.92

    Polar Surface Area:
    79.80

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  6. ALA4086983

    Name:
    N-(6-Methyl-3-(phenylthio)pyrido[2,3-b]pyrazin-7-y
    Show More

    Mol. Formula:
    C21H15N5O3S

    M.W.:
    417.45

    Type:
    Small molecule

    AlogP:
    4.64

    Polar Surface Area:
    110.91

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  7. ALA4083528

    Name:
    N-(6-Methyl-3-(phenylthio)pyrido[2,3-b]pyrazin-7-y
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    Mol. Formula:
    C21H17N5OS

    M.W.:
    387.47

    Type:
    Small molecule

    AlogP:
    5.13

    Polar Surface Area:
    79.80

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  8. ALA4080285

    Name:
    N-(6-Methyl-3-(phenylthio)pyrido[2,3-b]pyrazin-7-y
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    Mol. Formula:
    C21H15FN6O3S

    M.W.:
    450.46

    Type:
    Small molecule

    AlogP:
    5.18

    Polar Surface Area:
    122.94

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  9. ALA4067231

    Name:
    6-methyl-3-(phenylthio)pyrido[2,3-b]pyrazin-7-amin
    Show More

    Mol. Formula:
    C14H12N4S

    M.W.:
    268.35

    Type:
    Small molecule

    AlogP:
    3.07

    Polar Surface Area:
    64.69

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  10. ALA4066862

    Name:
    N-(6-Methyl-3-(phenylthio)pyrido[2,3-b]pyrazin-7-y
    Show More

    Mol. Formula:
    C22H16F3N5OS

    M.W.:
    455.47

    Type:
    Small molecule

    AlogP:
    6.15

    Polar Surface Area:
    79.80

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  11. ALA4086049

    Name:
    3,4,5-Trimethoxy-N-(6-methyl-3-(phenylthio)pyrido[
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    Mol. Formula:
    C24H22N4O4S

    M.W.:
    462.53

    Type:
    Small molecule

    AlogP:
    4.76

    Polar Surface Area:
    95.46

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  12. ALA4085696

    Name:
    N-(6-Methyl-3-phenoxypyrido[2,3-b]pyrazin-7-yl)-N'
    Show More

    Mol. Formula:
    C21H17N5O2

    M.W.:
    371.40

    Type:
    Small molecule

    AlogP:
    4.77

    Polar Surface Area:
    89.03

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  13. ALA4084525

    Name:
    4-Methyl-N-(6-methylpyrido[2,3-b]pyrazin-7-yl)benz
    Show More

    Mol. Formula:
    C16H14N4O

    M.W.:
    278.31

    Type:
    Small molecule

    AlogP:
    2.89

    Polar Surface Area:
    67.77

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  14. ALA4064523

    Name:
    N-(6-Methyl-3-(phenylthio)pyrido[2,3-b]pyrazin-7-y
    Show More

    Mol. Formula:
    C22H15F3N4OS

    M.W.:
    440.45

    Type:
    Small molecule

    AlogP:
    5.76

    Polar Surface Area:
    67.77

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  15. ALA4457175

    Name:
    6-N-[3-chloro-4-(3-fluorobenzyloxy)phenyl]-8-(fura
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    Mol. Formula:
    C22H15ClFN5O2

    M.W.:
    435.85

    Type:
    Unknown

    AlogP:
    5.73

    Polar Surface Area:
    88.86

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  16. ALA4177398

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

    Mol. Formula:
    C41H65N5O8

    M.W.:
    756.00

    Type:
    Small molecule

    AlogP:
    2.90

    Polar Surface Area:
    146.82

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  17. ALA4175495

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

    Mol. Formula:
    C39H64N8O8

    M.W.:
    772.99

    Type:
    Small molecule

    AlogP:
    3.49

    Polar Surface Area:
    206.58

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    22

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  18. ALA4175157

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

    Mol. Formula:
    C39H66N6O8

    M.W.:
    746.99

    Type:
    Small molecule

    AlogP:
    2.14

    Polar Surface Area:
    183.84

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  19. ALA4175077

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

    Mol. Formula:
    C39H65N5O8S

    M.W.:
    764.04

    Type:
    Small molecule

    AlogP:
    2.81

    Polar Surface Area:
    146.82

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  20. ALA4174822

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

    Mol. Formula:
    C39H65N5O9

    M.W.:
    747.98

    Type:
    Small molecule

    AlogP:
    1.87

    Polar Surface Area:
    167.05

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
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