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  1. ALA4513830

    Name:
    2-(4-(3-Chlorophenyl)-1H-1,2,3-triazol-1-yl)-N-(th
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    Mol. Formula:
    C13H10ClN5OS

    M.W.:
    319.78

    Type:
    Unknown

    AlogP:
    2.69

    Polar Surface Area:
    72.70

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  2. ALA4474975

    Name:
    N-(4-Methylthiazol-2-yl)-2-(4-(thiophen-2-yl)-1H-1
    Show More

    Mol. Formula:
    C12H11N5OS2

    M.W.:
    305.39

    Type:
    Unknown

    AlogP:
    2.41

    Polar Surface Area:
    72.70

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  3. ALA4474965

    Name:
    (1R,2S,4R,5S)-1,4-dihydroxy-4-methyl-6-methylene-2
    Show More

    Mol. Formula:
    C15H22O3

    M.W.:
    250.34

    Type:
    Unknown

    AlogP:
    1.99

    Polar Surface Area:
    57.53

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.70

    DETAILS
  4. ALA4537009

    Name:
    N-(5-acetyl-4-methylthiazol-2-yl)-2,6-dimethoxyben
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    Mol. Formula:
    C15H16N2O4S

    M.W.:
    320.37

    Type:
    Unknown

    AlogP:
    2.92

    Polar Surface Area:
    77.52

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  5. ALA4522338

    Name:
    3-(benzo[d][1,3]dioxol-5-yl)-N-(4,5-dimethylthiazo
    Show More

    Mol. Formula:
    C15H14N2O3S

    M.W.:
    302.36

    Type:
    Unknown

    AlogP:
    3.14

    Polar Surface Area:
    60.45

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  6. ALA4520139

    Name:
    3,4,5-triethoxy-N-(thiazol-2-yl)benzamide

    Mol. Formula:
    C16H20N2O4S

    M.W.:
    336.41

    Type:
    Unknown

    AlogP:
    3.59

    Polar Surface Area:
    69.68

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  7. ALA4535055

    Name:
    2-(4-(2-Chlorophenyl)-1H-1,2,3-triazol-1-yl)-N-(th
    Show More

    Mol. Formula:
    C13H10ClN5OS

    M.W.:
    319.78

    Type:
    Unknown

    AlogP:
    2.69

    Polar Surface Area:
    72.70

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  8. ALA4533992

    Name:
    (3,4-dihydroisoquinolin-2(1H)-yl)(4-(3-methoxyphen
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    Mol. Formula:
    C27H22F3N3O2

    M.W.:
    477.49

    Type:
    Unknown

    AlogP:
    5.77

    Polar Surface Area:
    47.36

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  9. ALA4531574

    Name:
    N-(5-Methylisoxazol-3-yl)-2-(4-(pyridin-4-yl)-1H-1
    Show More

    Mol. Formula:
    C13H12N6O2

    M.W.:
    284.28

    Type:
    Unknown

    AlogP:
    1.28

    Polar Surface Area:
    98.73

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  10. ALA4561176

    Name:
    N-((5-methylfuran-2-yl)methyl)-4-p-tolylthiazol-2-
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    Mol. Formula:
    C16H16N2OS

    M.W.:
    284.38

    Type:
    Unknown

    AlogP:
    4.63

    Polar Surface Area:
    38.06

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  11. ALA4558729

    Name:
    2-(4-(4-Ethynylphenyl)-1H-1,2,3-triazol-1-yl)-N-(5
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    Mol. Formula:
    C16H13N5O2

    M.W.:
    307.31

    Type:
    Unknown

    AlogP:
    1.86

    Polar Surface Area:
    85.84

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  12. ALA4556253

    Name:
    2-(4-(4-Nitrophenyl)-1H-1,2,3-triazol-1-yl)-N-(thi
    Show More

    Mol. Formula:
    C13H10N6O3S

    M.W.:
    330.33

    Type:
    Unknown

    AlogP:
    1.95

    Polar Surface Area:
    115.84

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  13. ALA4556203

    Name:
    4-(1-(2-((4-Methylthiazol-2-yl)amino)-2-oxoethyl)-
    Show More

    Mol. Formula:
    C15H13N5O3S

    M.W.:
    343.37

    Type:
    Unknown

    AlogP:
    2.05

    Polar Surface Area:
    110.00

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  14. ALA4553370

    Name:
    Chlovalicin

    Mol. Formula:
    C16H25ClO5

    M.W.:
    332.82

    Type:
    Unknown

    AlogP:
    1.58

    Polar Surface Area:
    79.29

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  15. ALA4553005

    Name:
    2-(4-(4-Methoxyphenyl)-1H-1,2,3-triazol-1-yl)-N-(5
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    Mol. Formula:
    C15H15N5O3

    M.W.:
    313.32

    Type:
    Unknown

    AlogP:
    1.89

    Polar Surface Area:
    95.07

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  16. ALA4571208

    Name:
    2-(4-(3-Aminophenyl)-1H-1,2,3-triazol-1-yl)-N-(thi
    Show More

    Mol. Formula:
    C13H12N6OS

    M.W.:
    300.35

    Type:
    Unknown

    AlogP:
    1.62

    Polar Surface Area:
    98.72

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  17. ALA4568880

    Name:
    N-(Benzo[d]thiazol-2-yl)-2-(4-(2-chlorophenyl)-1H-
    Show More

    Mol. Formula:
    C17H12ClN5OS

    M.W.:
    369.84

    Type:
    Unknown

    AlogP:
    3.85

    Polar Surface Area:
    72.70

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  18. ALA4567531

    Name:
    N-cyclohexyl-4-(3-methoxyphenyl)-1-(4-(trifluorome
    Show More

    Mol. Formula:
    C24H24F3N3O2

    M.W.:
    443.47

    Type:
    Unknown

    AlogP:
    5.63

    Polar Surface Area:
    56.15

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  19. ALA4529590

    Name:
    Ethyl 2-(2-(4-(2-Chlorophenyl)-1H-1,2,3-triazol-1-
    Show More

    Mol. Formula:
    C17H16ClN5O3S

    M.W.:
    405.87

    Type:
    Unknown

    AlogP:
    3.18

    Polar Surface Area:
    99.00

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  20. ALA4529357

    Name:
    2-(4-(4-Chlorophenyl)-1H-1,2,3-triazol-1-yl)-N-(5-
    Show More

    Mol. Formula:
    C14H12ClN5O2

    M.W.:
    317.74

    Type:
    Unknown

    AlogP:
    2.53

    Polar Surface Area:
    85.84

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
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