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  1. ALA5280198

    Name:
    Ikarisoside B

    Mol. Formula:
    C32H38O15

    M.W.:
    662.64

    Type:
    ---

    AlogP:
    0.12

    Polar Surface Area:
    249.20

    HBA:
    15

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  2. ALA5285127

    Name:
    2''-epifraxamoside

    Mol. Formula:
    C25H30O13

    M.W.:
    538.50

    Type:
    ---

    AlogP:
    -0.10

    Polar Surface Area:
    190.67

    HBA:
    13

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  3. ALA5266270

    Name:
    Epimedokoreanin B

    Mol. Formula:
    C25H26O6

    M.W.:
    422.48

    Type:
    ---

    AlogP:
    5.30

    Polar Surface Area:
    111.13

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  4. ALA5266163

    Name:
    Ophiopogonin D

    Mol. Formula:
    C44H70O16

    M.W.:
    855.03

    Type:
    ---

    AlogP:
    0.85

    Polar Surface Area:
    235.68

    HBA:
    16

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  5. ALA4550731

    Name:
    Tilidine

    Mol. Formula:
    C17H23NO2

    M.W.:
    273.38

    Type:
    Unknown

    AlogP:
    2.77

    Polar Surface Area:
    29.54

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  6. ALA4466163

    Name:
    N-desmethyltramadol

    Mol. Formula:
    C15H23NO2

    M.W.:
    249.35

    Type:
    Unknown

    AlogP:
    2.29

    Polar Surface Area:
    41.49

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  7. ALA3989483

    Name:
    NORLEVORPHANOL

    Mol. Formula:
    C16H21NO

    M.W.:
    243.35

    Type:
    Small molecule

    AlogP:
    2.74

    Polar Surface Area:
    32.26

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.73

    DETAILS
  8. ALA3527524

    Name:
    N-methyl-quinidine

    Mol. Formula:
    C21H27N2O2+

    M.W.:
    339.46

    Type:
    Small molecule

    AlogP:
    3.32

    Polar Surface Area:
    42.35

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  9. ALA3085123

    Name:
    Ipratropium

    Mol. Formula:
    C20H30ClNO3

    M.W.:
    367.92

    Type:
    Small molecule

    AlogP:
    2.85

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  10. ALA2425619

    Name:
    [14C]-Teraethylammonium bromide

    Mol. Formula:
    C8H20BrN

    M.W.:
    218.13

    Type:
    Small molecule

    AlogP:
    1.88

    Polar Surface Area:
    0.00

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  11. ALA2074897

    Name:
    1-(2-hydroxyethyl)quinolinium

    Mol. Formula:
    C11H12NO+

    M.W.:
    174.22

    Type:
    Small molecule

    AlogP:
    1.12

    Polar Surface Area:
    24.11

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.68

    DETAILS
  12. ALA2074896

    Name:
    1-ethylquinolonium

    Mol. Formula:
    C11H12N+

    M.W.:
    158.22

    Type:
    Small molecule

    AlogP:
    2.15

    Polar Surface Area:
    3.88

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.56

    DETAILS
  13. ALA2074858

    Name:
    1-ethyl-3-phenylpyridinium

    Mol. Formula:
    C13H14N+

    M.W.:
    184.26

    Type:
    Small molecule

    AlogP:
    2.66

    Polar Surface Area:
    3.88

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.63

    DETAILS
  14. ALA2074857

    Name:
    Tetrapropylammonium

    Mol. Formula:
    C12H28N+

    M.W.:
    186.36

    Type:
    Small molecule

    AlogP:
    3.44

    Polar Surface Area:
    0.00

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  15. ALA2074850

    Name:
    N-(4,4-azo-n-pentyl)-quinuclidine

    Mol. Formula:
    C12H22N3+

    M.W.:
    208.33

    Type:
    Small molecule

    AlogP:
    2.58

    Polar Surface Area:
    24.72

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  16. ALA2074767

    Name:
    N-(4,4-azo-n-pentyl)-21-deoxyajmalinium

    Mol. Formula:
    C25H35N4O+

    M.W.:
    407.58

    Type:
    Small molecule

    AlogP:
    3.71

    Polar Surface Area:
    48.19

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  17. ALA2074727

    Name:
    Azidoprocainamide methoiodide

    Mol. Formula:
    C14H22IN5O

    M.W.:
    403.27

    Type:
    Small molecule

    AlogP:
    2.84

    Polar Surface Area:
    77.86

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  18. ALA2062275

    Name:
    isoproterenol (+)-bitartrate R (-)

    Mol. Formula:
    C15H23NO9

    M.W.:
    361.35

    Type:
    Small molecule

    AlogP:
    1.13

    Polar Surface Area:
    72.72

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  19. Cyclohexylamine

    Name:
    Cyclohexylamine

    Mol. Formula:
    C6H13N

    M.W.:
    99.18

    Type:
    Small molecule

    AlogP:
    1.28

    Polar Surface Area:
    26.02

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.49

    DETAILS
  20. ALA1625192

    Name:
    1-(phenyl)methyl-3-phenylpyridinium

    Mol. Formula:
    C18H16N+

    M.W.:
    246.33

    Type:
    Small molecule

    AlogP:
    3.69

    Polar Surface Area:
    3.88

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
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