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  1. ALA5205448

    Name:
    3-benzyl-1-(4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-(4-(1-methyl-6-oxo-Show More

    Mol. Formula:
    C32H32N6O2

    M.W.:
    532.65

    Type:
    ---

    AlogP:
    5.46

    Polar Surface Area:
    103.05

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  2. ALA5205330

    Name:
    3-benzyl-1-(4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-phenylurea

    Mol. Formula:
    C26H27N5O

    M.W.:
    425.54

    Type:
    ---

    AlogP:
    5.09

    Polar Surface Area:
    81.05

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  3. ALA5202653

    Name:
    N-(4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-N-(4-(1-methyl-1H-pyrazol-4-ylShow More

    Mol. Formula:
    C24H26N6O

    M.W.:
    414.51

    Type:
    ---

    AlogP:
    4.13

    Polar Surface Area:
    86.84

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  4. CDK12-IN-3

    Name:
    (S)-2-(1-(6-(((6,7-difluoro-1H-benzo[d]imidazol-2-yl)methyl)amino)-9-isoproShow More

    Mol. Formula:
    C23H28F2N8O

    M.W.:
    470.53

    Type:
    ---

    AlogP:
    3.92

    Polar Surface Area:
    107.78

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  5. ALA5187567

    Name:
    3-benzyl-1-(4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-(4-(1-methyl-2-oxo-Show More

    Mol. Formula:
    C32H32N6O2

    M.W.:
    532.65

    Type:
    ---

    AlogP:
    5.46

    Polar Surface Area:
    103.05

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  6. ALA5179701

    Name:
    3-benzyl-1-(4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-(4-(1-methyl-2-oxo-Show More

    Mol. Formula:
    C32H32N6O2

    M.W.:
    532.65

    Type:
    ---

    AlogP:
    5.46

    Polar Surface Area:
    103.05

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  7. ALA5178679

    Name:
    3-benzyl-1-(4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-(4-(1-methyl-1H-pyrShow More

    Mol. Formula:
    C30H31N7O

    M.W.:
    505.63

    Type:
    ---

    AlogP:
    5.49

    Polar Surface Area:
    98.87

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  8. ALA5174472

    Name:
    3-benzyl-1-(4-((5-cyanopyridin-2-yl)amino)cyclohexyl)-1-(4-(pyridin-3-yl)phShow More

    Mol. Formula:
    C31H30N6O

    M.W.:
    502.62

    Type:
    ---

    AlogP:
    6.15

    Polar Surface Area:
    93.94

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  9. ALA4800324

    Name:
    N-(4'-(1-((5-cyclopropyl-1H-pyrazol-3-yl)amino)-1-oxopropan-2-yl)-2,3,4,5-tShow More

    Mol. Formula:
    C24H28N4O2

    M.W.:
    404.51

    Type:
    Unknown

    AlogP:
    4.27

    Polar Surface Area:
    86.88

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  10. ALA4800122

    Name:
    (S)-2-(4-(1-acryloylpiperidin-4-yl)phenyl)-N-(5-cyclopropyl-1H-pyrazol-3-ylShow More

    Mol. Formula:
    C23H28N4O2

    M.W.:
    392.50

    Type:
    Unknown

    AlogP:
    3.92

    Polar Surface Area:
    78.09

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  11. ALA4799777

    Name:
    N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(1'-methacryloyl-1',2',5',6'-tetrahydroShow More

    Mol. Formula:
    C22H25N5O2

    M.W.:
    391.48

    Type:
    Unknown

    AlogP:
    3.06

    Polar Surface Area:
    90.98

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  12. ALA4799698

    Name:
    2-(4-(1-acryloyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl)-N-(5-cyclopropyl-1HShow More

    Mol. Formula:
    C25H30N4O2

    M.W.:
    418.54

    Type:
    Unknown

    AlogP:
    4.47

    Polar Surface Area:
    78.09

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  13. ALA4799386

    Name:
    2-(1'-cyano-1',2',5',6'-tetrahydro-[2,3'-bipyridin]-5-yl)-N-(5-cyclopropyl-Show More

    Mol. Formula:
    C19H20N6O

    M.W.:
    348.41

    Type:
    Unknown

    AlogP:
    2.43

    Polar Surface Area:
    97.70

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  14. ALA4798660

    Name:
    N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(1'-(3-methylbut-2-enoyl)-1',2',5',6'-tShow More

    Mol. Formula:
    C23H27N5O2

    M.W.:
    405.50

    Type:
    Unknown

    AlogP:
    3.45

    Polar Surface Area:
    90.98

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  15. ALA4798265

    Name:
    Rac-(E)-N-((4'-(1-((5-cyclopropyl-1H-pyrazol-3-yl)amino)-1-oxopropan-2-yl)-Show More

    Mol. Formula:
    C30H35N5O3

    M.W.:
    513.64

    Type:
    Unknown

    AlogP:
    4.20

    Polar Surface Area:
    99.35

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  16. ALA4797074

    Name:
    2-(6-(1-acryloyl-2,5-dihydro-1H-pyrrol-3-yl)pyridin-3-yl)-N-(5-cyclopropyl-Show More

    Mol. Formula:
    C20H21N5O2

    M.W.:
    363.42

    Type:
    Unknown

    AlogP:
    2.27

    Polar Surface Area:
    90.98

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  17. ALA4795410

    Name:
    N-((5-(1-((5-cyclopropyl-1H-pyrazol-3-yl)amino)-1-oxopropan-2-yl)pyridin-2-Show More

    Mol. Formula:
    C18H21N5O2

    M.W.:
    339.40

    Type:
    Unknown

    AlogP:
    2.23

    Polar Surface Area:
    99.77

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  18. ALA4794718

    Name:
    2-(1-(but-2-ynoyl)-1,2,5,6-tetrahydro-[2,3-bipyridin]-5-yl)-N-(5-cyclopropyShow More

    Mol. Formula:
    C23H25N5O2

    M.W.:
    403.49

    Type:
    Unknown

    AlogP:
    3.06

    Polar Surface Area:
    90.98

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  19. ALA4794547

    Name:
    N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(1'-propioloyl-1',2',5',6'-tetrahydro-[Show More

    Mol. Formula:
    C21H21N5O2

    M.W.:
    375.43

    Type:
    Unknown

    AlogP:
    2.11

    Polar Surface Area:
    90.98

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  20. ALA4793480

    Name:
    2-(1-acryloyl-1,2,5,6-tetrahydro-[2,3-bipyridin]-5-yl)-N-(5-cyclopropyl-1H-Show More

    Mol. Formula:
    C24H29N5O2

    M.W.:
    419.53

    Type:
    Unknown

    AlogP:
    3.86

    Polar Surface Area:
    90.98

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
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