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  1. ALA3586210

    Name:
    5-(2-(4-(5-aminopyrazin-2-yl)phenyl)tetrahydrofura
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    Mol. Formula:
    C24H27N5O3

    M.W.:
    433.51

    Type:
    Small molecule

    AlogP:
    2.68

    Polar Surface Area:
    123.25

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  2. ALA3586209

    Name:
    5-(4-cyclobutyl-2-fluoro-3-(pyrimidin-2-yloxy)phen
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    Cas Number:
    1621472-75-0

    Mol. Formula:
    C18H16FN5O

    M.W.:
    337.36

    Type:
    Small molecule

    AlogP:
    3.71

    Polar Surface Area:
    86.81

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  3. ALA3586208

    Name:
    2-(6-(4-(3-methyl-2-(5-(pyridin-2-ylmethoxy)pyridi
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    Cas Number:
    954104-50-8

    Mol. Formula:
    C29H32N4O2

    M.W.:
    468.60

    Type:
    Small molecule

    AlogP:
    5.70

    Polar Surface Area:
    81.02

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  4. ALA3527552

    Name:
    [(R)-2-(2-amino-3-((2-(3,3-dinitroazetidin-1-yl)-2
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    Mol. Formula:
    C10H15N5O8S

    M.W.:
    365.32

    Type:
    Small molecule

    AlogP:
    -2.66

    Polar Surface Area:
    199.01

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  5. ALA3527376

    Name:
    [14C]-(S)-3-(Aminomethyl)-7-(3-hydroxypropoxy)-1-h
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    Mol. Formula:
    C11H17BClNO4

    M.W.:
    275.52

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. Type:
    Small molecule

    AlogP:
    -0.53

    Polar Surface Area:
    106.59

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  7. ALA3526571

    Name:
    [(R)-2-amino-3-((2-(3-nitroazetidin-1-yl)-2-oxoeth
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    Mol. Formula:
    C8H13N3O5S

    M.W.:
    263.27

    Type:
    Small molecule

    AlogP:
    -1.38

    Polar Surface Area:
    126.77

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  8. ALA3221867

    Name:
    (R)-2-((R)-3-amino-3-(4-((2-(methoxymethyl)quinoli
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    Mol. Formula:
    C25H28N4O5

    M.W.:
    464.52

    Type:
    Small molecule

    AlogP:
    2.24

    Polar Surface Area:
    127.01

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  9. ALA3221866

    Name:
    (R)-2-((R)-3-Amino-3-(4-((2-(2-isopropoxyethyl)qui
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    Mol. Formula:
    C31H40N4O5

    M.W.:
    548.68

    Type:
    Small molecule

    AlogP:
    4.09

    Polar Surface Area:
    127.01

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  10. ALA3221865

    Name:
    (R)-2-((R)-3-amino-3-(4-((2-(isopropoxymethyl)quin
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    Mol. Formula:
    C30H38N4O5

    M.W.:
    534.66

    Type:
    Small molecule

    AlogP:
    4.05

    Polar Surface Area:
    127.01

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  11. ALA3221864

    Name:
    (R)-2-((R)-3-Amino-3-(4-((2-(2-methoxyethyl)quinol
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    Mol. Formula:
    C29H36N4O5

    M.W.:
    520.63

    Type:
    Small molecule

    AlogP:
    3.31

    Polar Surface Area:
    127.01

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  12. ALA3221863

    Name:
    (R)-2-((R)-3-Amino-3-(4-((2-(methoxymethyl)quinoli
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    Mol. Formula:
    C28H34N4O5

    M.W.:
    506.60

    Type:
    Small molecule

    AlogP:
    3.27

    Polar Surface Area:
    127.01

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  13. ALA3221862

    Name:
    (R)-2-((R)-3-amino-3-(4-((2-methoxyquinolin-4-yl)m
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    Mol. Formula:
    C27H32N4O5

    M.W.:
    492.58

    Type:
    Small molecule

    AlogP:
    3.13

    Polar Surface Area:
    127.01

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  14. ALA3221861

    Name:
    (R)-2-((R)-3-amino-3-(4-((2-cyclohexylquinolin-4-y
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    Mol. Formula:
    C32H40N4O4

    M.W.:
    544.70

    Type:
    Small molecule

    AlogP:
    5.17

    Polar Surface Area:
    117.78

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  15. ALA3221860

    Name:
    (R)-2-((R)-3-amino-3-(4-((2-cyclopropylquinolin-4-
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    Mol. Formula:
    C29H34N4O4

    M.W.:
    502.62

    Type:
    Small molecule

    AlogP:
    4.00

    Polar Surface Area:
    117.78

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  16. ALA3221859

    Name:
    (R)-2-((R)-3-Amino-3-(4-((2-isopropoxyquinolin-4-y
    Show More

    Mol. Formula:
    C29H36N4O4

    M.W.:
    504.63

    Type:
    Small molecule

    AlogP:
    4.24

    Polar Surface Area:
    117.78

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  17. ALA3221858

    Name:
    (R)-2-((R)-3-amino-3-(4-((2-ethylquinolin-4-yl)met
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    Mol. Formula:
    C28H34N4O4

    M.W.:
    490.60

    Type:
    Small molecule

    AlogP:
    3.68

    Polar Surface Area:
    117.78

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  18. ALA3221857

    Name:
    (R)-2-((R)-3-amino-2-oxo-3-(4-((2-(trifluoromethyl
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    Mol. Formula:
    C27H29F3N4O4

    M.W.:
    530.55

    Type:
    Small molecule

    AlogP:
    4.14

    Polar Surface Area:
    117.78

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  19. ALA3221856

    Name:
    (R)-2-((R)-3-amino-3-(4-((2-chloroquinolin-4-yl)me
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    Mol. Formula:
    C26H29ClN4O4

    M.W.:
    497.00

    Type:
    Small molecule

    AlogP:
    3.77

    Polar Surface Area:
    117.78

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  20. ALA3221855

    Name:
    (R)-2-((R)-3-Amino-3-(4-((2-(4-(benzyloxy)phenyl)q
    Show More

    Mol. Formula:
    C33H36N4O5

    M.W.:
    568.67

    Type:
    Small molecule

    AlogP:
    4.70

    Polar Surface Area:
    127.01

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
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