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  1. ALA2230141

    Name:
    Sarcolobine

    Mol. Formula:
    C23H22O7

    M.W.:
    410.42

    Type:
    Small molecule

    AlogP:
    2.81

    Polar Surface Area:
    83.45

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  2. ALA2230140

    Name:
    Obovatin 5-methyl ether

    Mol. Formula:
    C21H20O4

    M.W.:
    336.39

    Type:
    Small molecule

    AlogP:
    4.59

    Polar Surface Area:
    44.76

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  3. ALA2230066

    Name:
    (E/Z)-3-O-beta-D-glucopyranosyl-28-O-(alpha-L-arabinopyranosyl-(1->3)-beta-Show More

    Mol. Formula:
    C73H108O33

    M.W.:
    1513.63

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA2228732

    Name:
    1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(3-mShow More

    Mol. Formula:
    C20H20N4O3

    M.W.:
    364.41

    Type:
    Small molecule

    AlogP:
    2.50

    Polar Surface Area:
    85.58

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  5. ALA2228731

    Name:
    1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(4-hShow More

    Mol. Formula:
    C19H18N4O3

    M.W.:
    350.38

    Type:
    Small molecule

    AlogP:
    2.19

    Polar Surface Area:
    96.58

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  6. ALA2228730

    Name:
    1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(4-nShow More

    Mol. Formula:
    C19H17N5O4

    M.W.:
    379.38

    Type:
    Small molecule

    AlogP:
    2.40

    Polar Surface Area:
    119.49

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  7. ALA2228729

    Name:
    1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(3-nShow More

    Mol. Formula:
    C19H17N5O4

    M.W.:
    379.38

    Type:
    Small molecule

    AlogP:
    2.40

    Polar Surface Area:
    119.49

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  8. ALA2228727

    Name:
    1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(3-bShow More

    Mol. Formula:
    C19H17BrN4O2

    M.W.:
    413.27

    Type:
    Small molecule

    AlogP:
    3.25

    Polar Surface Area:
    76.35

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  9. ALA2228726

    Name:
    1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(4-cShow More

    Mol. Formula:
    C19H17ClN4O2

    M.W.:
    368.82

    Type:
    Small molecule

    AlogP:
    3.14

    Polar Surface Area:
    76.35

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  10. ALA2228725

    Name:
    1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(3-cShow More

    Mol. Formula:
    C19H17ClN4O2

    M.W.:
    368.82

    Type:
    Small molecule

    AlogP:
    3.14

    Polar Surface Area:
    76.35

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  11. ALA2228723

    Name:
    1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(4-fShow More

    Mol. Formula:
    C19H17FN4O2

    M.W.:
    352.37

    Type:
    Small molecule

    AlogP:
    2.63

    Polar Surface Area:
    76.35

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  12. ALA2228721

    Name:
    1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid pyrShow More

    Mol. Formula:
    C18H17N5O2

    M.W.:
    335.37

    Type:
    Small molecule

    AlogP:
    1.88

    Polar Surface Area:
    89.24

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  13. ALA2228720

    Name:
    1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(3,4Show More

    Mol. Formula:
    C22H24N4O5

    M.W.:
    424.46

    Type:
    Small molecule

    AlogP:
    2.51

    Polar Surface Area:
    104.04

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  14. ALA2228719

    Name:
    1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(3-eShow More

    Mol. Formula:
    C21H22N4O4

    M.W.:
    394.43

    Type:
    Small molecule

    AlogP:
    2.59

    Polar Surface Area:
    105.81

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  15. ALA2228620

    Name:
    1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(3-mShow More

    Mol. Formula:
    C20H20N4O4

    M.W.:
    380.40

    Type:
    Small molecule

    AlogP:
    2.20

    Polar Surface Area:
    105.81

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  16. ALA2228619

    Name:
    1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(3,4Show More

    Mol. Formula:
    C21H22N4O4

    M.W.:
    394.43

    Type:
    Small molecule

    AlogP:
    2.51

    Polar Surface Area:
    94.81

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  17. ALA2228618

    Name:
    1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(2,4Show More

    Mol. Formula:
    C21H22N4O4

    M.W.:
    394.43

    Type:
    Small molecule

    AlogP:
    2.51

    Polar Surface Area:
    94.81

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  18. ALA2228617

    Name:
    1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(2,4Show More

    Mol. Formula:
    C19H18N4O4

    M.W.:
    366.38

    Type:
    Small molecule

    AlogP:
    1.90

    Polar Surface Area:
    116.81

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  19. ALA2228616

    Name:
    1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(2,6Show More

    Mol. Formula:
    C19H16Cl2N4O2

    M.W.:
    403.27

    Type:
    Small molecule

    AlogP:
    3.80

    Polar Surface Area:
    76.35

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  20. ALA2228615

    Name:
    1-Ethyl-7-methyl-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid(2,4Show More

    Mol. Formula:
    C19H16Cl2N4O2

    M.W.:
    403.27

    Type:
    Small molecule

    AlogP:
    3.80

    Polar Surface Area:
    76.35

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
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