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  1. ALA4877924

    Name:
    11-hydroxyhumantenine

    Mol. Formula:
    C21H26N2O4

    M.W.:
    370.45

    Type:
    Unknown

    AlogP:
    2.22

    Polar Surface Area:
    62.24

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  2. ALA4876644

    Name:
    ethyl 4-(benzo[d][1,3]dioxol-5-yloxy)butanoate

    Mol. Formula:
    C13H16O5

    M.W.:
    252.27

    Type:
    Unknown

    AlogP:
    2.14

    Polar Surface Area:
    53.99

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  3. ALA4875420

    Name:
    epi-koumidine

    Cas Number:
    124096-81-7

    Mol. Formula:
    C19H22N2O

    M.W.:
    294.40

    Type:
    Unknown

    AlogP:
    3.02

    Polar Surface Area:
    39.26

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  4. ALA4875152

    Name:
    benzo[d][1,3]dioxol-5-yl 6-(benzo[d][1,3]dioxol-5-
    Show More

    Mol. Formula:
    C20H20O7

    M.W.:
    372.37

    Type:
    Unknown

    AlogP:
    3.69

    Polar Surface Area:
    72.45

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  5. ALA4874794

    Name:
    benzo[d][1,3]dioxol-5-yl 5-(benzo[d][1,3]dioxol-5-
    Show More

    Mol. Formula:
    C19H18O7

    M.W.:
    358.35

    Type:
    Unknown

    AlogP:
    3.30

    Polar Surface Area:
    72.45

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  6. ALA4874727

    Name:
    Humantenine N4-oxide

    Mol. Formula:
    C21H26N2O4

    M.W.:
    370.45

    Type:
    Unknown

    AlogP:
    2.53

    Polar Surface Area:
    61.83

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  7. ALA4873560

    Name:
    4-N-demethylkoumine

    Mol. Formula:
    C19H20N2O

    M.W.:
    292.38

    Type:
    Unknown

    AlogP:
    2.59

    Polar Surface Area:
    33.62

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.81

    DETAILS
  8. ALA4873355

    Name:
    11-methoxy-19-(R)-hydroxygelselegine

    Mol. Formula:
    C21H28N2O6

    M.W.:
    404.46

    Type:
    Unknown

    AlogP:
    0.35

    Polar Surface Area:
    100.49

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  9. ALA4873044

    Name:
    11-Hydroxyhumantenine N4-Oxide

    Mol. Formula:
    C21H26N2O5

    M.W.:
    386.45

    Type:
    Unknown

    AlogP:
    2.24

    Polar Surface Area:
    82.06

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  10. ALA4871951

    Name:
    N-(1-methyl-1H-indol-5-yl)-2-(6-(4-methylphenoxy)p
    Show More

    Mol. Formula:
    C23H19N3O3

    M.W.:
    385.42

    Type:
    Unknown

    AlogP:
    4.50

    Polar Surface Area:
    73.22

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  11. ALA4870600

    Name:
    Gelselegine

    Mol. Formula:
    C20H26N2O4

    M.W.:
    358.44

    Type:
    Unknown

    AlogP:
    1.37

    Polar Surface Area:
    71.03

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  12. ALA4869520

    Name:
    2-(4-Ethyl-phenylamino)-N-(4-sulfamoyl-benzyl)-ace
    Show More

    Mol. Formula:
    C17H21N3O3S

    M.W.:
    347.44

    Type:
    Unknown

    AlogP:
    1.62

    Polar Surface Area:
    101.29

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  13. ALA5287576

    Name:
    1-(chloromethyl)-4-(m-tolyl)-[1,2,4]triazolo[4,3-a
    Show More

    Mol. Formula:
    C17H13ClN4O

    M.W.:
    324.77

    Type:
    ---

    AlogP:
    3.08

    Polar Surface Area:
    52.19

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  14. ALA5287507

    Name:
    (5-(4-(4-fluorophenyl)-6-(4-hydroxyphenyl)-2-thiox
    Show More

    Mol. Formula:
    C19H16FN5O2S

    M.W.:
    397.44

    Type:
    ---

    AlogP:
    2.68

    Polar Surface Area:
    89.32

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  15. ALA5287338

    Name:
    Propapyriogenin A2

    Mol. Formula:
    C30H44O5

    M.W.:
    484.68

    Type:
    ---

    AlogP:
    5.59

    Polar Surface Area:
    91.67

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  16. ALA5287160

    Name:
    5-(furan-2-yl)-3-(naphthalen-1-yl)-4,5-dihydro-1H-
    Show More

    Mol. Formula:
    C17H14N2O

    M.W.:
    262.31

    Type:
    ---

    AlogP:
    3.87

    Polar Surface Area:
    37.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  17. ALA5287075

    Name:
    2-((5-(7-bromo-3-methyl-1-oxo-1,2-dihydronaphthale
    Show More

    Mol. Formula:
    C22H17Br2N5O2S

    M.W.:
    575.29

    Type:
    ---

    AlogP:
    4.96

    Polar Surface Area:
    100.10

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  18. ALA5286988

    Name:
    3-(3-methylthiophen-2-yl)-1-(3-morpholinopropyl)py
    Show More

    Mol. Formula:
    C16H22N2O3S

    M.W.:
    322.43

    Type:
    ---

    AlogP:
    1.62

    Polar Surface Area:
    49.85

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  19. ALA5286984

    Name:
    2-((5-(7-bromo-3-methyl-1-oxo-1,2-dihydronaphthale
    Show More

    Mol. Formula:
    C26H24BrClN4O2S

    M.W.:
    571.93

    Type:
    ---

    AlogP:
    5.63

    Polar Surface Area:
    87.74

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  20. ALA5286946

    Name:
    1'-(6-oxooctyl)spiro[fluorene-9,4'-imidazolidine]-
    Show More

    Mol. Formula:
    C23H24N2O3

    M.W.:
    376.46

    Type:
    ---

    AlogP:
    4.00

    Polar Surface Area:
    66.48

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
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