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  1. ALA4548847

    Name:
    N-((3-(3-carbamothioylphenyl)-1-(tetrahydro-2H-pyr
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    Mol. Formula:
    C26H27N5O2S

    M.W.:
    473.60

    Type:
    Unknown

    AlogP:
    3.88

    Polar Surface Area:
    97.96

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  2. ALA4548497

    Name:
    3-(1-(3,3-difluoropropyl)-6-fluoro-1H-indol-3-yl)b
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    Mol. Formula:
    C18H15F3N2S

    M.W.:
    348.39

    Type:
    Unknown

    AlogP:
    4.74

    Polar Surface Area:
    30.95

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  3. ALA4548179

    Name:
    (2-(1H-pyrrol-1-yl)pyridin-4-yl)methanamine

    Mol. Formula:
    C10H11N3

    M.W.:
    173.22

    Type:
    Unknown

    AlogP:
    1.33

    Polar Surface Area:
    43.84

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.74

    DETAILS
  4. ALA4548146

    Name:
    3-(6-(hydroxymethyl)-1-(4,4,4-trifluorobutyl)-1H-i
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    Mol. Formula:
    C20H19F3N2OS

    M.W.:
    392.45

    Type:
    Unknown

    AlogP:
    4.78

    Polar Surface Area:
    51.18

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  5. ALA4548031

    Name:
    3-(6-(hydroxymethyl)-1-((2,2,3,3-tetrafluorocyclop
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    Mol. Formula:
    C20H16F4N2OS

    M.W.:
    408.42

    Type:
    Unknown

    AlogP:
    4.34

    Polar Surface Area:
    51.18

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  6. ALA4548016

    Name:
    5-(4-hydroxy-2-methylphenyl)pyridine-3-carbothioam
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    Mol. Formula:
    C13H12N2OS

    M.W.:
    244.32

    Type:
    Unknown

    AlogP:
    2.40

    Polar Surface Area:
    59.14

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.80

    DETAILS
  7. ALA4547912

    Name:
    4'-hydroxy-2',6'-dimethylbiphenyl-3-carbothioamide

    Mol. Formula:
    C15H15NOS

    M.W.:
    257.36

    Type:
    Unknown

    AlogP:
    3.31

    Polar Surface Area:
    46.25

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  8. ALA4547128

    Name:
    3-(6-((methylamino)methyl)-1H-indol-3-yl)benzothio
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    Mol. Formula:
    C17H17N3S

    M.W.:
    295.41

    Type:
    Unknown

    AlogP:
    3.19

    Polar Surface Area:
    53.84

    HBA:
    2

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  9. ALA4546211

    Name:
    N-((3-(3-carbamothioylphenyl)-1-(1-(propylsulfonyl
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    Mol. Formula:
    C32H40N6O3S2

    M.W.:
    620.85

    Type:
    Unknown

    AlogP:
    4.78

    Polar Surface Area:
    115.25

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  10. ALA4546073

    Name:
    3-(6-(aminomethyl)-1-(2-hydroxyethyl)-1H-indol-3-y
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    Mol. Formula:
    C18H19N3OS

    M.W.:
    325.44

    Type:
    Unknown

    AlogP:
    2.39

    Polar Surface Area:
    77.20

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  11. ALA4550414

    Name:
    N-(6-(2-(2-(4-(3-carbamothioylphenyl)-1H-indol-7-y
    Show More

    Mol. Formula:
    C46H42N4O9S

    M.W.:
    826.93

    Type:
    Unknown

    AlogP:
    6.95

    Polar Surface Area:
    194.46

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  12. ALA4549932

    Name:
    3-(5-fluoro-1-(1-(methylsulfonyl)piperidin-4-yl)-1
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    Mol. Formula:
    C21H22FN3O2S2

    M.W.:
    431.56

    Type:
    Unknown

    AlogP:
    3.68

    Polar Surface Area:
    68.33

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  13. ALA4549825

    Name:
    1-(3,3-difluoropropyl)-6-(hydroxymethyl)-1H,1'H-3,
    Show More

    Mol. Formula:
    C21H19F2N3OS

    M.W.:
    399.47

    Type:
    Unknown

    AlogP:
    4.57

    Polar Surface Area:
    66.97

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  14. ALA4549587

    Name:
    3-(6-amino-1-(cyclopentylmethyl)-1H-indol-3-yl)ben
    Show More

    Mol. Formula:
    C21H23N3S

    M.W.:
    349.50

    Type:
    Unknown

    AlogP:
    4.71

    Polar Surface Area:
    56.97

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  15. ALA4549445

    Name:
    1-(3-(1H-indol-4-yl)phenyl)ethanamine

    Mol. Formula:
    C16H16N2

    M.W.:
    236.32

    Type:
    Unknown

    AlogP:
    3.85

    Polar Surface Area:
    41.81

    HBA:
    1

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  16. ALA4549252

    Name:
    3-(6-amino-1-(4,4,4-trifluorobutyl)-1H-indol-3-yl)
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    Mol. Formula:
    C19H17F4N3S

    M.W.:
    395.43

    Type:
    Unknown

    AlogP:
    5.01

    Polar Surface Area:
    56.97

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  17. ALA4548999

    Name:
    3-(1-(3,3-difluoropropyl)-6-(1,2-dihydroxyethyl)-1
    Show More

    Mol. Formula:
    C20H20F2N2O2S

    M.W.:
    390.46

    Type:
    Unknown

    AlogP:
    3.62

    Polar Surface Area:
    71.41

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  18. ALA4548941

    Name:
    5-fluoro-4'-hydroxybiphenyl-3-carbothioamide

    Mol. Formula:
    C13H10FNOS

    M.W.:
    247.29

    Type:
    Unknown

    AlogP:
    2.83

    Polar Surface Area:
    46.25

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.80

    DETAILS
  19. ALA4524885

    Name:
    3-(5-(hydroxymethyl)-3-(piperidin-1-yl)-1H-indol-1
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    Mol. Formula:
    C21H23N3OS

    M.W.:
    365.50

    Type:
    Unknown

    AlogP:
    3.75

    Polar Surface Area:
    54.42

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  20. ALA4524641

    Name:
    3-(5-hydroxy-1H-indol-3-yl)benzothioamide

    Mol. Formula:
    C15H12N2OS

    M.W.:
    268.34

    Type:
    Unknown

    AlogP:
    3.17

    Polar Surface Area:
    62.04

    HBA:
    2

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
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