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  1. ALA3691805

    Name:
    US8969348, 2-{4-[(1-Methyl-1H-indol-3-yl)methyl]-1
    Show More

    Mol. Formula:
    C23H23N3O3

    M.W.:
    389.46

    Type:
    Small molecule

    AlogP:
    3.90

    Polar Surface Area:
    77.12

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  2. ALA3691804

    Name:
    US8969348, {4-[(1,4-Dimethyl-1H-indol-3-yl)methyl]
    Show More

    Mol. Formula:
    C27H23N3O3

    M.W.:
    437.50

    Type:
    Small molecule

    AlogP:
    4.46

    Polar Surface Area:
    77.12

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  3. ALA3691803

    Name:
    US8969348, 2-{4-[(1,4-Dimethyl-1H-indol-3-yl)methy
    Show More

    Mol. Formula:
    C24H25N3O3

    M.W.:
    403.48

    Type:
    Small molecule

    AlogP:
    4.21

    Polar Surface Area:
    77.12

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  4. ALA3691802

    Name:
    US8969348, {4-[(1-Methyl-1H-indol-3-yl)methyl]-1-o
    Show More

    Mol. Formula:
    C26H21N3O3

    M.W.:
    423.47

    Type:
    Small molecule

    AlogP:
    4.15

    Polar Surface Area:
    77.12

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  5. ALA3691801

    Name:
    US8969348, 2-[4-(Naphthalen-1-ylmethyl)-1-oxophtha
    Show More

    Mol. Formula:
    C24H22N2O3

    M.W.:
    386.45

    Type:
    Small molecule

    AlogP:
    4.57

    Polar Surface Area:
    72.19

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  6. ALA3691800

    Name:
    US8969348, [4-(Naphthalen-1-ylmethyl)-1-oxophthala
    Show More

    Mol. Formula:
    C27H20N2O3

    M.W.:
    420.47

    Type:
    Small molecule

    AlogP:
    4.81

    Polar Surface Area:
    72.19

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  7. ALA3691799

    Name:
    US8969348, 3-{4-[(1,4-Dimethyl-1H-indol-3-yl)methy
    Show More

    Mol. Formula:
    C22H21N3O3

    M.W.:
    375.43

    Type:
    Small molecule

    AlogP:
    3.26

    Polar Surface Area:
    77.12

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  8. ALA3691798

    Name:
    US8969348, [4-(Naphthalen-1-ylmethyl)-1-oxophthala
    Show More

    Mol. Formula:
    C21H16N2O3

    M.W.:
    344.37

    Type:
    Small molecule

    AlogP:
    3.23

    Polar Surface Area:
    72.19

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  9. ALA3691797

    Name:
    US8969348, {4-[(1,4-Dimethyl-1H-indol-3-yl)methyl]
    Show More

    Mol. Formula:
    C21H19N3O3

    M.W.:
    361.40

    Type:
    Small molecule

    AlogP:
    2.87

    Polar Surface Area:
    77.12

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  10. ALA3691796

    Name:
    US8969348, {4-[(1-Methyl-1H-indol-3-yl)methyl]-1-o
    Show More

    Mol. Formula:
    C20H17N3O3

    M.W.:
    347.37

    Type:
    Small molecule

    AlogP:
    2.56

    Polar Surface Area:
    77.12

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  11. ALA4546815

    Name:
    NA

    Mol. Formula:
    C73H96N14O20S2

    M.W.:
    1553.78

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA4549498

    Name:
    (S)-3-((2S,3R)-2-((S)-2-aminohexanamido)-3-hydroxy
    Show More

    Mol. Formula:
    C29H38N6O10

    M.W.:
    630.66

    Type:
    Unknown

    AlogP:
    0.31

    Polar Surface Area:
    263.32

    HBA:
    10

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  13. ALA4556207

    Name:
    NA

    Mol. Formula:
    C69H93N19O24S2

    M.W.:
    1636.75

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA4561218

    Name:
    NA

    Mol. Formula:
    C71H102N18O19S2

    M.W.:
    1575.84

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA4560112

    Name:
    NA

    Mol. Formula:
    C69H93ClN18O22S2

    M.W.:
    1626.19

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA4554739

    Name:
    NA

    Mol. Formula:
    C69H93IN18O22S2

    M.W.:
    1717.65

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  17. ALA4520063

    Name:
    (S)-3-((2S,3R)-2-((S)-2-amino-3-phenylpropanamido)
    Show More

    Mol. Formula:
    C32H36N6O10

    M.W.:
    664.67

    Type:
    Unknown

    AlogP:
    0.36

    Polar Surface Area:
    263.32

    HBA:
    10

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  18. ALA4593335

    Name:
    NA

    Mol. Formula:
    C70H99N15O19S2

    M.W.:
    1518.78

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  19. ALA4592765

    Name:
    NA

    Mol. Formula:
    C70H98N18O21S2

    M.W.:
    1591.79

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  20. ALA4590739

    Name:
    NA

    Mol. Formula:
    C68H93N17O23S2

    M.W.:
    1580.72

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
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