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  1. ALA5219902

    Name:
    2-(neopentyl(quinolin-7-ylmethyl)amino)pyrimidine-4-carbonitrile

    Mol. Formula:
    C20H21N5

    M.W.:
    331.42

    Type:
    ---

    AlogP:
    3.95

    Polar Surface Area:
    65.70

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  2. ALA5219648

    Name:
    2-((4-bromobenzyl)(cyclohexyl)amino)pyrimidine-4-carbonitrile

    Mol. Formula:
    C18H19BrN4

    M.W.:
    371.28

    Type:
    ---

    AlogP:
    4.45

    Polar Surface Area:
    52.81

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  3. ALA5219432

    Name:
    2-(neopentyl(quinolin-2-ylmethyl)amino)pyrimidine-4-carbonitrile

    Mol. Formula:
    C20H21N5

    M.W.:
    331.42

    Type:
    ---

    AlogP:
    3.95

    Polar Surface Area:
    65.70

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  4. ALA5219428

    Name:
    2-(((4-bromothiophen-2-yl)methyl)(neopentyl)amino)pyrimidine-4-carbonitrile

    Mol. Formula:
    C15H17BrN4S

    M.W.:
    365.30

    Type:
    ---

    AlogP:
    4.22

    Polar Surface Area:
    52.81

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  5. ALA5219348

    Name:
    2-(([1,1'-biphenyl]-4-ylmethyl)(neopentyl)amino)pyrimidine-4-carboniirile

    Mol. Formula:
    C23H24N4

    M.W.:
    356.47

    Type:
    ---

    AlogP:
    5.07

    Polar Surface Area:
    52.81

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  6. ALA5220975

    Name:
    2-((naphthalen-2-ylmethyl)(neopentyl)amino)pyrimidine-4-carbonitrile

    Mol. Formula:
    C21H22N4

    M.W.:
    330.44

    Type:
    ---

    AlogP:
    4.55

    Polar Surface Area:
    52.81

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  7. ALA5220960

    Name:
    2-((4-(4-methylpiperazin-1-yl)benzyl)(neopentyl)amino)pyrimidine-4-carbonitShow More

    Mol. Formula:
    C22H30N6

    M.W.:
    378.52

    Type:
    ---

    AlogP:
    3.15

    Polar Surface Area:
    59.29

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  8. ALA5220796

    Name:
    2-(([1,1'-biphenyl]-3-ylmethyl)(neopentyl)amino)pyrimidine-4-carbonitrile

    Mol. Formula:
    C23H24N4

    M.W.:
    356.47

    Type:
    ---

    AlogP:
    5.07

    Polar Surface Area:
    52.81

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  9. ALA5220736

    Name:
    2-(benzyl(neopentyl)amino)pyrimidine-4-carbonitrile

    Mol. Formula:
    C17H20N4

    M.W.:
    280.38

    Type:
    ---

    AlogP:
    3.40

    Polar Surface Area:
    52.81

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  10. ALA5220669

    Name:
    2-((4-bromobenzyl)(cyclohexylmethyl)amino)pyrimidine-4-carbonitrile

    Mol. Formula:
    C19H21BrN4

    M.W.:
    385.31

    Type:
    ---

    AlogP:
    4.70

    Polar Surface Area:
    52.81

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  11. ALA5220424

    Name:
    2-((4-bromobenzyl)(neopentyl)amino)pyrimidine-4-carbonitrile

    Mol. Formula:
    C17H19BrN4

    M.W.:
    359.27

    Type:
    ---

    AlogP:
    4.16

    Polar Surface Area:
    52.81

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  12. ALA5220195

    Name:
    2-((5-bromopyridin-2-yl)methyl)(neopentyl)amino)pyrimidine-4-carbonitrile

    Mol. Formula:
    C16H18BrN5

    M.W.:
    360.26

    Type:
    ---

    AlogP:
    3.56

    Polar Surface Area:
    65.70

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  13. ALA5220016

    Name:
    2-((4-fluorobenzyl)(neopentyl)amino)pyrimidine-4-carbonitrile

    Mol. Formula:
    C17H19FN4

    M.W.:
    298.37

    Type:
    ---

    AlogP:
    3.54

    Polar Surface Area:
    52.81

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  14. ALA5218839

    Name:
    2-(((2-methylthiazol-5-yl)methyl)(neopentyl)amino)pyrimidine-4-carbonitrile

    Mol. Formula:
    C15H19N5S

    M.W.:
    301.42

    Type:
    ---

    AlogP:
    3.17

    Polar Surface Area:
    65.70

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  15. ALA5218499

    Name:
    2-((4-chlorobenzyl)(neopentyl)amino)pyrimidine-4-carbonitrile

    Mol. Formula:
    C17H19ClN4

    M.W.:
    314.82

    Type:
    ---

    AlogP:
    4.05

    Polar Surface Area:
    52.81

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  16. ALA5203617

    Name:
    (1R,2R)-N-(1-cyanocyclopropyl)-2-(4-(4-(1,1-dioxidothiomorpholino)phenyl)-1Show More

    Mol. Formula:
    C31H35N5O4S

    M.W.:
    573.72

    Type:
    ---

    AlogP:
    4.23

    Polar Surface Area:
    117.32

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  17. ALA5203247

    Name:
    (1R,2R)-N-(1-cyanocyclopropyl)-2-(4-(4-(1,1-dioxidothiomorpholino)phenyl)-1Show More

    Mol. Formula:
    C26H30F3N5O3S

    M.W.:
    549.62

    Type:
    ---

    AlogP:
    3.79

    Polar Surface Area:
    108.09

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  18. ALA5200434

    Name:
    (1R,2R)-N-(1-cyanocyclopropyl)-2-(4-(4-(1,1-dioxidothiomorpholino)phenyl)-1Show More

    Mol. Formula:
    C30H32FN5O3S

    M.W.:
    561.68

    Type:
    ---

    AlogP:
    4.36

    Polar Surface Area:
    108.09

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  19. ALA5197995

    Name:
    (1R,2R)-5,5-dichloro-N-(1-cyanocyclopropyl)-2-(4-(4-(morpholine-4-carbonyl)Show More

    Mol. Formula:
    C27H28Cl2F3N5O3

    M.W.:
    598.45

    Type:
    ---

    AlogP:
    4.81

    Polar Surface Area:
    100.25

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  20. ALA5192725

    Name:
    (1R,2R)-N-(1-cyanocyclopropyl)-2-(4-(4-(1,1-dioxidothiomorpholino)phenyl)-1Show More

    Mol. Formula:
    C30H30F3N5O3S

    M.W.:
    597.66

    Type:
    ---

    AlogP:
    4.60

    Polar Surface Area:
    108.09

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
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