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  1. ALA5286471

    Name:
    2-(4-(tert-butyl)phenyl)-7,8-dihydro-5H-thiopyrano
    Show More

    Mol. Formula:
    C17H20N2OS

    M.W.:
    300.43

    Type:
    ---

    AlogP:
    3.94

    Polar Surface Area:
    46.01

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  2. Type:
    Small molecule

    AlogP:
    3.66

    Polar Surface Area:
    46.01

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  3. ALA3736012

    Name:
    (rac)-2-(2-hydroxy-1,1-dimethyl-ethyl)-5-methyl-1,
    Show More

    Mol. Formula:
    C17H21NO3

    M.W.:
    287.36

    Type:
    Small molecule

    AlogP:
    2.30

    Polar Surface Area:
    62.32

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  4. ALA3734991

    Name:
    (rac)-2-Isopropyl-5-methyl-1,2,4,10-tetrahydro-3-o
    Show More

    Mol. Formula:
    C16H19NO2

    M.W.:
    257.33

    Type:
    Small molecule

    AlogP:
    2.93

    Polar Surface Area:
    42.09

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.85

    DETAILS
  5. ALA3735517

    Name:
    (rac)-2-tert-butyl-1,2,4,10-tetrahydro-3-oxa-10-az
    Show More

    Mol. Formula:
    C16H19NO2

    M.W.:
    257.33

    Type:
    Small molecule

    AlogP:
    3.02

    Polar Surface Area:
    42.09

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  6. ALA3734971

    Name:
    (rac)-2-(2-Hydroxy-1,1-dimethyl-ethyl)-1,2,4,10-te
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    Mol. Formula:
    C16H19NO3

    M.W.:
    273.33

    Type:
    Small molecule

    AlogP:
    1.99

    Polar Surface Area:
    62.32

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  7. ALA3736145

    Name:
    (rac)-2-(1-Methanesulfonyl-pyrrolidin-3-yl)-1,2,4,
    Show More

    Mol. Formula:
    C17H20N2O4S

    M.W.:
    348.42

    Type:
    Small molecule

    AlogP:
    1.25

    Polar Surface Area:
    79.47

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  8. ALA3735964

    Name:
    (rac)-2-[1-(Oxetane-3-carbonyl)-piperidin-4-yl]-1,
    Show More

    Mol. Formula:
    C21H24N2O4

    M.W.:
    368.43

    Type:
    Small molecule

    AlogP:
    1.85

    Polar Surface Area:
    71.63

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  9. ALA3736005

    Name:
    (rac)-7-Isopropyl-5,7,8,9-tetrahydro-6-oxa-4,9-dia
    Show More

    Mol. Formula:
    C14H16N2O2

    M.W.:
    244.29

    Type:
    Small molecule

    AlogP:
    2.02

    Polar Surface Area:
    54.98

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.83

    DETAILS
  10. ALA3736494

    Name:
    (rac)-2-Isopropyl-1,2,4,10-tetrahydro-3-oxa-10-aza
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    Mol. Formula:
    C15H17NO2

    M.W.:
    243.31

    Type:
    Small molecule

    AlogP:
    2.63

    Polar Surface Area:
    42.09

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.84

    DETAILS
  11. ALA5277399

    Name:

    Mol. Formula:
    C74H91N21O21

    M.W.:
    1610.67

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA5276118

    Name:
    4-(5-(2-(5-(5-(methylsulfonyl)pyridin-2-yl)-4-(o-t
    Show More

    Mol. Formula:
    C26H19N7O3S

    M.W.:
    509.55

    Type:
    ---

    AlogP:
    4.13

    Polar Surface Area:
    140.45

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  13. ALA5274581

    Name:
    N-[4-(4-cyanophenoxy)phenyl]-3-[(4-oxo-3H-quinazol
    Show More

    Mol. Formula:
    C24H18N4O3S

    M.W.:
    442.50

    Type:
    ---

    AlogP:
    4.71

    Polar Surface Area:
    107.87

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  14. ALA5267871

    Name:

    Mol. Formula:
    C47H74N18O15

    M.W.:
    1131.22

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA5197192

    Name:

    Mol. Formula:
    C45H60N18O17

    M.W.:
    1125.08

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA5173796

    Name:

    Mol. Formula:
    C41H62N18O15

    M.W.:
    1047.06

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  17. ALA5094543

    Name:
    N-(3-(5-(5-Ethoxypyridin-2-yl)-4-(pyridin-3-yl)-4H
    Show More

    Mol. Formula:
    C28H24N8O2

    M.W.:
    504.55

    Type:
    Unknown

    AlogP:
    3.67

    Polar Surface Area:
    120.60

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  18. ALA5094240

    Name:
    N-(trans-3-(5-(5-Cyclopropoxypyridin-2-yl)-4-(2-fl
    Show More

    Mol. Formula:
    C26H23FN6O2

    M.W.:
    470.51

    Type:
    Unknown

    AlogP:
    4.08

    Polar Surface Area:
    94.82

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  19. ALA5093991

    Name:
    N-(trans-3-(4-(2-Fluorophenyl)-5-(6-methylpyridin-
    Show More

    Mol. Formula:
    C27H21F2N7O

    M.W.:
    497.51

    Type:
    Unknown

    AlogP:
    4.54

    Polar Surface Area:
    98.48

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  20. ALA5093410

    Name:
    N-(trans-3-(5-(5-Ethoxypyridin-2-yl)-4-(2-fluoroph
    Show More

    Mol. Formula:
    C30H28FN7O2

    M.W.:
    537.60

    Type:
    Unknown

    AlogP:
    5.10

    Polar Surface Area:
    107.71

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
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