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  1. ALA4516875

    Name:
    Calcium(I) 2-((4-(Benzo[d]thiazol-5-ylamino)-6-(te
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    Mol. Formula:
    C21H25CaN4O7PS2

    M.W.:
    580.64

    Type:
    Unknown

    AlogP:
    4.04

    Polar Surface Area:
    160.83

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  2. ALA4860067

    Name:
    4-(2-((1-Methylpiperidin-2-yl)methoxy)-4-(4-(vinyl
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    Mol. Formula:
    C26H30N6O3S2

    M.W.:
    538.70

    Type:
    Unknown

    AlogP:
    3.69

    Polar Surface Area:
    102.66

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  3. ALA4859341

    Name:
    N-(4-Cyanophenyl)-4-(6-(4-(4-methylpiperazin-1-yl)
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    Mol. Formula:
    C29H30N8OS

    M.W.:
    538.68

    Type:
    Unknown

    AlogP:
    4.34

    Polar Surface Area:
    91.63

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  4. ALA4858955

    Name:
    6-(6-Methoxypyridin-3-yl)-4-(4-(vinylsulfonyl)pipe
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    Mol. Formula:
    C18H19N5O3S2

    M.W.:
    417.52

    Type:
    Unknown

    AlogP:
    2.36

    Polar Surface Area:
    88.52

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  5. ALA4858075

    Name:
    N-(2-Fluorophenyl)-4-(6-(4-(4-methylpiperazin-1-yl
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    Mol. Formula:
    C28H30FN7OS

    M.W.:
    531.66

    Type:
    Unknown

    AlogP:
    4.60

    Polar Surface Area:
    67.84

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  6. ALA4857959

    Name:
    6-(4-(4-Methylpiperazin-1-yl)phenyl)-2-((1-methylp
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    Mol. Formula:
    C34H43N7O3S2

    M.W.:
    661.90

    Type:
    Unknown

    AlogP:
    4.48

    Polar Surface Area:
    85.35

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  7. ALA4856965

    Name:
    6-(Cyclohex-1-en-1-yl)-4-(4-(vinylsulfonyl)piperaz
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    Mol. Formula:
    C18H22N4O2S2

    M.W.:
    390.53

    Type:
    Unknown

    AlogP:
    3.24

    Polar Surface Area:
    66.40

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  8. ALA4879073

    Name:
    N-(2,6-Diisopropylphenyl)-4-(6-(4-(4-methylpiperaz
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    Mol. Formula:
    C34H43N7OS

    M.W.:
    597.83

    Type:
    Unknown

    AlogP:
    6.71

    Polar Surface Area:
    67.84

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  9. ALA4878964

    Name:
    6-(5-Bromo-2-fluoropyridin-3-yl)-4-(4-(vinylsulfon
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    Mol. Formula:
    C17H15BrFN5O2S2

    M.W.:
    484.38

    Type:
    Unknown

    AlogP:
    3.25

    Polar Surface Area:
    79.29

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  10. ALA4878907

    Name:
    N-(2-Methoxyphenyl)-4-(6-(4-(4-methylpiperazin-1-y
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    Mol. Formula:
    C29H33N7O2S

    M.W.:
    543.70

    Type:
    Unknown

    AlogP:
    4.47

    Polar Surface Area:
    77.07

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  11. ALA4878266

    Name:
    6-(Quinolin-5-yl)-4-(4-(vinylsulfonyl)piperazin-1-
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    Mol. Formula:
    C21H19N5O2S2

    M.W.:
    437.55

    Type:
    Unknown

    AlogP:
    3.50

    Polar Surface Area:
    79.29

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  12. ALA4875890

    Name:
    6-Phenyl-4-(4-(vinylsulfonyl)piperazin-1-yl)quinol
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    Mol. Formula:
    C21H21N3O2S

    M.W.:
    379.49

    Type:
    Unknown

    AlogP:
    3.50

    Polar Surface Area:
    53.51

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  13. ALA4875689

    Name:
    4-(6-(4-(4-Methylpiperazin-1-yl)phenyl)thieno[2,3-
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    Mol. Formula:
    C29H30F3N7O2S

    M.W.:
    597.67

    Type:
    Unknown

    AlogP:
    5.36

    Polar Surface Area:
    77.07

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  14. ALA4875668

    Name:
    (4-Methylpiperazin-1-yl)(4-(4-(4-(vinylsulfonyl)pi
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    Mol. Formula:
    C24H28N6O3S2

    M.W.:
    512.66

    Type:
    Unknown

    AlogP:
    2.34

    Polar Surface Area:
    89.95

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  15. ALA4874965

    Name:
    4-((S)-2-Methyl-4-(vinylsulfonyl)piperazin-1-yl)-6
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    Mol. Formula:
    C30H41N7O3S2

    M.W.:
    611.84

    Type:
    Unknown

    AlogP:
    3.57

    Polar Surface Area:
    85.35

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  16. ALA4874787

    Name:
    6-(4-(Trifluoromethyl)phenyl)-4-(4-(vinylsulfonyl)
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    Mol. Formula:
    C19H17F3N4O2S2

    M.W.:
    454.50

    Type:
    Unknown

    AlogP:
    3.97

    Polar Surface Area:
    66.40

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  17. ALA4874409

    Name:
    4-(4-(Ethylsulfonyl)piperazin-1-yl)-6-(4-(4-methyl
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    Mol. Formula:
    C23H30N6O2S2

    M.W.:
    486.67

    Type:
    Unknown

    AlogP:
    2.58

    Polar Surface Area:
    72.88

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  18. ALA4849886

    Name:
    6-(Thiophen-2-yl)-4-(4-(vinylsulfonyl)piperazin-1-
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    Mol. Formula:
    C16H16N4O2S3

    M.W.:
    392.53

    Type:
    Unknown

    AlogP:
    3.02

    Polar Surface Area:
    66.40

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  19. ALA4849461

    Name:
    4-(6-(4-(4-Methylpiperazin-1-yl)phenyl)thieno[2,3-
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    Mol. Formula:
    C25H33N7OS

    M.W.:
    479.65

    Type:
    Unknown

    AlogP:
    3.35

    Polar Surface Area:
    67.84

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  20. ALA4848735

    Name:
    (R)-(4-(4-(4-(Ethylsulfonyl)piperazin-1-yl)-2-((1-
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    Mol. Formula:
    C30H41N7O4S2

    M.W.:
    627.84

    Type:
    Unknown

    AlogP:
    2.69

    Polar Surface Area:
    102.42

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
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