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  1. ALA4860632

    Name:
    Demethoxy-cornuside

    Mol. Formula:
    C23H28O14

    M.W.:
    528.46

    Type:
    Unknown

    AlogP:
    -1.09

    Polar Surface Area:
    232.90

    HBA:
    13

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  2. ALA4864856

    Name:
    Secologanoside

    Mol. Formula:
    C16H22O11

    M.W.:
    390.34

    Type:
    Unknown

    AlogP:
    -1.98

    Polar Surface Area:
    183.21

    HBA:
    9

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  3. ALA4862269

    Name:
    Secoxyloganin

    Mol. Formula:
    C17H24O11

    M.W.:
    404.37

    Type:
    Unknown

    AlogP:
    -1.89

    Polar Surface Area:
    172.21

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  4. ALA4085241

    Name:
    rac-5-((1S,2R)-6-fluoro-2,5-dihydroxy-4,4-dimethyl
    Show More

    Mol. Formula:
    C22H20F4N2O3

    M.W.:
    436.41

    Type:
    Small molecule

    AlogP:
    4.50

    Polar Surface Area:
    85.35

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  5. ALA3986969

    Name:
    N-{4-(3-Methoxyphenoxy)phenyl}benzenesulfonamide

    Mol. Formula:
    C19H17NO4S

    M.W.:
    355.42

    Type:
    Small molecule

    AlogP:
    4.29

    Polar Surface Area:
    64.63

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  6. ALA4082878

    Name:
    5-(4-(3-fluoro-2-hydroxyphenyl)-2-hydroxy-4-methyl
    Show More

    Mol. Formula:
    C22H22F4N2O3

    M.W.:
    438.42

    Type:
    Small molecule

    AlogP:
    4.45

    Polar Surface Area:
    85.35

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  7. ALA3983437

    Name:
    1-(3,5-difluorobenzyl)-5-(2-oxo-2H-chromen-6-yl)-1
    Show More

    Mol. Formula:
    C21H12F2N2O2

    M.W.:
    362.33

    Type:
    Small molecule

    AlogP:
    4.46

    Polar Surface Area:
    58.93

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  8. ALA3983391

    Name:
    N-(4-Phenoxyphenyl)methanesulfonamide

    Cas Number:
    30118-32-2

    Mol. Formula:
    C13H13NO3S

    M.W.:
    263.32

    Type:
    Small molecule

    AlogP:
    2.85

    Polar Surface Area:
    55.40

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.92

    DETAILS
  9. ALA3982227

    Name:
    N-(4-Phenoxyphenyl)-2-chlorobenzenesulfonamide

    Mol. Formula:
    C18H14ClNO3S

    M.W.:
    359.83

    Type:
    Small molecule

    AlogP:
    4.93

    Polar Surface Area:
    55.40

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  10. ALA3980435

    Name:
    N-Methyl-N-(4-phenoxyphenyl)-2-chlorobenzenesulfon
    Show More

    Mol. Formula:
    C19H16ClNO3S

    M.W.:
    373.86

    Type:
    Small molecule

    AlogP:
    4.96

    Polar Surface Area:
    46.61

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  11. ALA3975572

    Name:
    5-(7-hydroxy-4-methyl-2-oxo-2H-chromen-6-yl)-1-met
    Show More

    Mol. Formula:
    C16H12N2O3

    M.W.:
    280.28

    Type:
    Small molecule

    AlogP:
    2.68

    Polar Surface Area:
    79.16

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  12. ALA3975442

    Name:
    1-(4-nitrobenzyl)-5-(2-oxo-2H-chromen-6-yl)-1H-pyr
    Show More

    Mol. Formula:
    C21H13N3O4

    M.W.:
    371.35

    Type:
    Small molecule

    AlogP:
    4.09

    Polar Surface Area:
    102.07

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  13. ALA3975017

    Name:
    6-(5-methylthiophen-2-yl)-2H-chromen-2-one

    Mol. Formula:
    C14H10O2S

    M.W.:
    242.30

    Type:
    Small molecule

    AlogP:
    3.83

    Polar Surface Area:
    30.21

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  14. ALA3974043

    Name:
    1-benzyl-5-(7-(diethylamino)-2-oxo-2H-chromen-6-yl
    Show More

    Mol. Formula:
    C25H23N3O2

    M.W.:
    397.48

    Type:
    Small molecule

    AlogP:
    5.03

    Polar Surface Area:
    62.17

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  15. ALA3972388

    Name:
    N-(4-Bromophenyl)-3-chlorobenzenesulfonamide

    Mol. Formula:
    C12H9BrClNO2S

    M.W.:
    346.63

    Type:
    Small molecule

    AlogP:
    3.90

    Polar Surface Area:
    46.17

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.92

    DETAILS
  16. ALA3971739

    Name:
    N-Methyl-N-(4-phenoxyphenyl)-3-methoxybenzenesulfo
    Show More

    Mol. Formula:
    C20H19NO4S

    M.W.:
    369.44

    Type:
    Small molecule

    AlogP:
    4.31

    Polar Surface Area:
    55.84

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  17. ALA4872792

    Name:
    Cornuside

    Cas Number:
    131189-57-6

    Mol. Formula:
    C24H30O14

    M.W.:
    542.49

    Type:
    Unknown

    AlogP:
    -1.00

    Polar Surface Area:
    221.90

    HBA:
    14

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  18. ALA5077912

    Name:
    (8R,9S,10R,11S,13S,14S,17S)-17-acetyl-11,13-dimeth
    Show More

    Mol. Formula:
    C23H32O4

    M.W.:
    372.51

    Type:
    Unknown

    AlogP:
    4.27

    Polar Surface Area:
    60.44

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  19. ALA4175249

    Name:
    8-Fluoro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan
    Show More

    Mol. Formula:
    C17H10F7NO2

    M.W.:
    393.26

    Type:
    Small molecule

    AlogP:
    4.44

    Polar Surface Area:
    53.09

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  20. ALA4174942

    Name:
    4-Fluoro-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan
    Show More

    Mol. Formula:
    C16H8F7NO2

    M.W.:
    379.23

    Type:
    Small molecule

    AlogP:
    4.13

    Polar Surface Area:
    53.09

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
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