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  1. ALA4514695

    Name:
    (1S,4aR,5S,6S,6aR,9S,11aS,11bS,12R)-1,5,6-trihydro
    Show More

    Mol. Formula:
    C28H31NO7

    M.W.:
    493.56

    Type:
    Unknown

    AlogP:
    2.11

    Polar Surface Area:
    137.08

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  2. ALA4514533

    Name:
    4-((2,2-Diethoxyethyl)selanyl)aniline

    Mol. Formula:
    C12H19NO2Se

    M.W.:
    288.25

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA4514033

    Name:
    (E)-1-(4-(((1-benzyl-1H-1,2,3-triazol-4-yl)methyl)
    Show More

    Mol. Formula:
    C24H21N5O

    M.W.:
    395.47

    Type:
    Unknown

    AlogP:
    4.23

    Polar Surface Area:
    72.70

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  4. ALA4483682

    Name:
    (3E,5E)-3-(3-pyridylmethylene)-5-(2-trifluoromethy
    Show More

    Mol. Formula:
    C25H18BrF3N2O3S

    M.W.:
    563.40

    Type:
    Unknown

    AlogP:
    5.60

    Polar Surface Area:
    67.34

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  5. ALA4483536

    Name:
    4-(7-(4-hydroxy-3-methoxyphenyl)-3,5-dioxohepta-1,
    Show More

    Mol. Formula:
    C26H29NO7Se

    M.W.:
    546.48

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA4483416

    Name:
    Isopropyl 2-(2-((5-fluoro-2-((4-((1-oxyl-2,2,6,6-t
    Show More

    Mol. Formula:
    C28H35FN7O4S

    M.W.:
    584.70

    Type:
    Unknown

    AlogP:
    5.15

    Polar Surface Area:
    141.27

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  7. ALA4483411

    Name:
    (6R,7R)-Methyl 3-methyl-8-oxo-7-(3-phenylpropanami
    Show More

    Mol. Formula:
    C18H20N2O4S

    M.W.:
    360.44

    Type:
    Unknown

    AlogP:
    1.47

    Polar Surface Area:
    75.71

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  8. ALA4483345

    Name:
    6-carboxy-9,12-dimethoxy-2,3-methylenedioxy-tetrah
    Show More

    Mol. Formula:
    C21H21NO6

    M.W.:
    383.40

    Type:
    Unknown

    AlogP:
    2.54

    Polar Surface Area:
    77.46

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  9. ALA4483067

    Name:
    N-(2-(2-(2-((6-chlorobenzo[d][1,3]dioxol-5-yl)meth
    Show More

    Mol. Formula:
    C30H24ClN3O5

    M.W.:
    541.99

    Type:
    Unknown

    AlogP:
    5.19

    Polar Surface Area:
    98.25

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  10. ALA4483040

    Name:
    4-(3-((2R,4aS,6aS,12bR,14aS,14bR)-10-hydroxy-2,4a,
    Show More

    Mol. Formula:
    C40H48N2O9S

    M.W.:
    732.90

    Type:
    Unknown

    AlogP:
    7.08

    Polar Surface Area:
    159.94

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  11. ALA4482886

    Name:
    3,6-dichloro-8-nitroquinolin-2(1H)-one

    Mol. Formula:
    C9H4Cl2N2O3

    M.W.:
    259.05

    Type:
    Unknown

    AlogP:
    2.74

    Polar Surface Area:
    76.00

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  12. ALA4476548

    Name:
    4beta-N-(8''-aminoquinoline)-4-desoxy-podophylloto
    Show More

    Mol. Formula:
    C31H28N2O7

    M.W.:
    540.57

    Type:
    Unknown

    AlogP:
    5.08

    Polar Surface Area:
    97.37

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  13. ALA4476169

    Name:
    (S)-N-(1-(1H-indol-3-yl)pent-4-en-2-yl)-4-chloro-2
    Show More

    Mol. Formula:
    C19H18ClN3O4S

    M.W.:
    419.89

    Type:
    Unknown

    AlogP:
    4.20

    Polar Surface Area:
    105.10

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  14. ALA4476085

    Name:
    2-(4-(2-hydroxyethoxy)-3,5-dimethoxyphenyl)-5,7-di
    Show More

    Mol. Formula:
    C20H22N2O7

    M.W.:
    402.40

    Type:
    Unknown

    AlogP:
    2.00

    Polar Surface Area:
    112.13

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  15. ALA4475718

    Name:
    (3E,5E)-3-(4-pyridylmethylene)-5-(3,4,5-trimethoxy
    Show More

    Mol. Formula:
    C22H24N2O4

    M.W.:
    380.44

    Type:
    Unknown

    AlogP:
    3.09

    Polar Surface Area:
    60.89

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  16. ALA4475548

    Name:
    8-Bromo-N-(3-morpholinopropyl)-11H-indeno[1,2-b]qu
    Show More

    Mol. Formula:
    C23H24BrN3O

    M.W.:
    438.37

    Type:
    Unknown

    AlogP:
    4.70

    Polar Surface Area:
    37.39

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  17. ALA4475394

    Name:
    6-Methoxy-(R)-4-[((1S,2S,4S,5Z/E)-5-methoxyimino-1
    Show More

    Mol. Formula:
    C19H23N3O3

    M.W.:
    341.41

    Type:
    Unknown

    AlogP:
    2.37

    Polar Surface Area:
    67.18

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  18. ALA4475250

    Name:
    4-epi-Baenzigeride A

    Mol. Formula:
    C20H22O6

    M.W.:
    358.39

    Type:
    Unknown

    AlogP:
    2.53

    Polar Surface Area:
    85.97

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  19. ALA4475229

    Name:
    (7R,8S,2'S,8'R)-Longipedlignan M

    Mol. Formula:
    C31H30O9

    M.W.:
    546.57

    Type:
    Unknown

    AlogP:
    4.15

    Polar Surface Area:
    109.75

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  20. ALA4475189

    Name:
    3-(((2-(2-fluorophenyl)-9-(tetrahydro-2H-pyran-2-y
    Show More

    Mol. Formula:
    C24H25FN6O2

    M.W.:
    448.50

    Type:
    Unknown

    AlogP:
    4.25

    Polar Surface Area:
    97.72

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
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