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  1. ALA4475610

    Name:
    1,4-dihydroxy-2-(hydroxy(4-(trifluoromethyl)phenyl
    Show More

    Mol. Formula:
    C22H13F3O5

    M.W.:
    414.33

    Type:
    Unknown

    AlogP:
    3.97

    Polar Surface Area:
    94.83

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  2. ALA4474588

    Name:
    1,4-dihydroxy-2-(hydroxy(5-methylthiophen-2-yl)met
    Show More

    Mol. Formula:
    C20H14O5S

    M.W.:
    366.39

    Type:
    Unknown

    AlogP:
    3.32

    Polar Surface Area:
    94.83

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  3. ALA4535770

    Name:
    2-((5-chlorothiophen-2-yl)(hydroxy)methyl)-1,4-dih
    Show More

    Mol. Formula:
    C19H11ClO5S

    M.W.:
    386.81

    Type:
    Unknown

    AlogP:
    3.67

    Polar Surface Area:
    94.83

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  4. ALA4554457

    Name:
    1,4-dihydroxy-2-(hydroxy(thiophen-2-yl)methyl)anth
    Show More

    Mol. Formula:
    C19H12O5S

    M.W.:
    352.37

    Type:
    Unknown

    AlogP:
    3.02

    Polar Surface Area:
    94.83

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  5. ALA4569853

    Name:
    2-((2,4-dichlorophenyl)(hydroxy)methyl)-1,4-dihydr
    Show More

    Mol. Formula:
    C21H12Cl2O5

    M.W.:
    415.23

    Type:
    Unknown

    AlogP:
    4.26

    Polar Surface Area:
    94.83

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  6. ALA4567917

    Name:
    2-((3,4-dimethoxyphenyl)(hydroxy)methyl)-1,4-dihyd
    Show More

    Mol. Formula:
    C23H18O7

    M.W.:
    406.39

    Type:
    Unknown

    AlogP:
    2.97

    Polar Surface Area:
    113.29

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  7. ALA4567051

    Name:
    1,4-dihydroxy-2-(hydroxy(thiophen-3-yl)methyl)anth
    Show More

    Mol. Formula:
    C19H12O5S

    M.W.:
    352.37

    Type:
    Unknown

    AlogP:
    3.02

    Polar Surface Area:
    94.83

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  8. ALA4586039

    Name:
    1,4-dihydroxy-2-(hydroxy(4-(methylthio)phenyl)meth
    Show More

    Mol. Formula:
    C22H16O5S

    M.W.:
    392.43

    Type:
    Unknown

    AlogP:
    3.68

    Polar Surface Area:
    94.83

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  9. ALA5285408

    Name:
    2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylthio)-N-(4
    Show More

    Mol. Formula:
    C22H17N7O3S2

    M.W.:
    491.56

    Type:
    ---

    AlogP:
    3.20

    Polar Surface Area:
    131.24

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  10. ALA4465360

    Name:
    2-((4-bromothiophen-2-yl)(hydroxy)methyl)-1,4-dihy
    Show More

    Mol. Formula:
    C19H11BrO5S

    M.W.:
    431.26

    Type:
    Unknown

    AlogP:
    3.78

    Polar Surface Area:
    94.83

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  11. ALA4464296

    Name:
    2-((4-ethoxyphenyl)(hydroxy)methyl)-1,4-dihydroxya
    Show More

    Mol. Formula:
    C23H18O6

    M.W.:
    390.39

    Type:
    Unknown

    AlogP:
    3.35

    Polar Surface Area:
    104.06

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  12. ALA4471656

    Name:
    2-((bis(2-chloroethyl)amino)(4-(methylthio)phenyl)
    Show More

    Mol. Formula:
    C26H23Cl2NO4S

    M.W.:
    516.45

    Type:
    Unknown

    AlogP:
    5.46

    Polar Surface Area:
    77.84

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  13. ALA4543919

    Name:
    4-((1,4-dihydroxy-9,10-dioxo-9,10-dihydroanthracen
    Show More

    Mol. Formula:
    C22H13NO5

    M.W.:
    371.35

    Type:
    Unknown

    AlogP:
    2.83

    Polar Surface Area:
    118.62

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  14. ALA4640633

    Name:
    (4-(((((14-Methyl-5-oxo-5,7,8,13,13b,14-hexahydroi
    Show More

    Mol. Formula:
    C27H24BN3O6

    M.W.:
    497.32

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA4634313

    Name:
    (4-(((14-Methyl-5-oxo-5,7,8,13,13b,14-hexahydroind
    Show More

    Mol. Formula:
    C26H24BN3O4

    M.W.:
    453.31

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA4593714

    Name:
    2-((bis(2-chloroethyl)amino)(4-(trifluoromethoxy)p
    Show More

    Mol. Formula:
    C26H20Cl2F3NO5

    M.W.:
    554.35

    Type:
    Unknown

    AlogP:
    5.64

    Polar Surface Area:
    87.07

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  17. ALA5269118

    Name:
    2-([1,2,4]triazolo[4,3-a]quinoxalin-4-ylthio)-N-(4
    Show More

    Mol. Formula:
    C20H15N7O3S3

    M.W.:
    497.59

    Type:
    ---

    AlogP:
    3.27

    Polar Surface Area:
    131.24

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  18. ALA4451416

    Name:
    2-((bis(2-chloroethyl)amino)(4-(trifluoromethyl)ph
    Show More

    Mol. Formula:
    C26H20Cl2F3NO4

    M.W.:
    538.35

    Type:
    Unknown

    AlogP:
    5.76

    Polar Surface Area:
    77.84

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  19. ALA4441505

    Name:
    2-((3-bromo-4-methoxyphenyl)(hydroxy)methyl)-1,4-d
    Show More

    Mol. Formula:
    C22H15BrO6

    M.W.:
    455.26

    Type:
    Unknown

    AlogP:
    3.73

    Polar Surface Area:
    104.06

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  20. ALA4440907

    Name:
    2-((bis(2-chloroethyl)amino)(thiophen-2-yl)methyl)
    Show More

    Mol. Formula:
    C23H19Cl2NO4S

    M.W.:
    476.38

    Type:
    Unknown

    AlogP:
    4.80

    Polar Surface Area:
    77.84

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
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