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  1. ALA4649004

    Name:
    3-(4-hydroxyphenyl)-1,6-dimethyl-pyrimido[5,4-e][1
    Show More

    Mol. Formula:
    C13H11N5O3

    M.W.:
    285.26

    Type:
    Unknown

    AlogP:
    -0.25

    Polar Surface Area:
    102.90

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  2. ALA4648737

    Name:
    (6-[[(E)-[2-(dimethylamino)phenyl]methyleneamino]-
    Show More

    Mol. Formula:
    C15H19N5O2

    M.W.:
    301.35

    Type:
    Unknown

    AlogP:
    0.61

    Polar Surface Area:
    73.70

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  3. ALA4648732

    Name:
    4-(1,6-dimethyl-5,7-dioxo-pyrimido[5,4-e][1,2,4]tr
    Show More

    Mol. Formula:
    C14H10N6O2

    M.W.:
    294.27

    Type:
    Unknown

    AlogP:
    -0.09

    Polar Surface Area:
    106.46

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  4. ALA4648103

    Name:
    4(6-[[(E)-(4-methoxyphenyl)methyleneamino]-methyl-
    Show More

    Mol. Formula:
    C14H16N4O3

    M.W.:
    288.31

    Type:
    Unknown

    AlogP:
    0.55

    Polar Surface Area:
    79.69

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  5. ALA4647422

    Name:
    (6-[[(E)-(4-hydroxyphenyl)methyleneamino]-methyl-a
    Show More

    Mol. Formula:
    C13H14N4O3

    M.W.:
    274.28

    Type:
    Unknown

    AlogP:
    0.25

    Polar Surface Area:
    90.69

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  6. ALA4646564

    Name:
    6-methyl-3-phenyl-1H-pyrimido[5,4-e][1,2,4]triazin
    Show More

    Cas Number:
    42285-76-7

    Mol. Formula:
    C12H9N5O2

    M.W.:
    255.24

    Type:
    Unknown

    AlogP:
    0.03

    Polar Surface Area:
    93.53

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  7. ALA4646339

    Name:
    3-[2-(dimethylamino)phenyl]-1,6-dimethyl-pyrimido[
    Show More

    Mol. Formula:
    C15H16N6O2

    M.W.:
    312.33

    Type:
    Unknown

    AlogP:
    0.11

    Polar Surface Area:
    85.91

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  8. ALA4643919

    Name:
    (6-[[(E)-benzylideneamino]-methyl-amino]-3-methyl-
    Show More

    Mol. Formula:
    C13H14N4O2

    M.W.:
    258.28

    Type:
    Unknown

    AlogP:
    0.54

    Polar Surface Area:
    70.46

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  9. ALA4640783

    Name:
    1,6-dimethyl-3-(1-methyl-2-oxo-4-pyridyl)pyrimido[
    Show More

    Mol. Formula:
    C13H12N6O3

    M.W.:
    300.28

    Type:
    Unknown

    AlogP:
    -1.26

    Polar Surface Area:
    104.67

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  10. ALA4640696

    Name:
    4-(1,6-dimethyl-5,7-dioxo-pyrimido[5,4-e][1,2,4]tr
    Show More

    Mol. Formula:
    C13H12N6O4S

    M.W.:
    348.34

    Type:
    Unknown

    AlogP:
    -1.31

    Polar Surface Area:
    142.83

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  11. ALA4640130

    Name:
    1,5-dimethyl-3-phenyl-imidazo[4,5-e][1,2,4]triazin
    Show More

    Mol. Formula:
    C12H11N5O

    M.W.:
    241.25

    Type:
    Unknown

    AlogP:
    0.68

    Polar Surface Area:
    65.60

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  12. ALA4639254

    Name:
    methyl-1-[4-(1,6-dimethyl-5,7-dioxo-pyrimido[5,4-e
    Show More

    Mol. Formula:
    C18H17N5O4

    M.W.:
    367.37

    Type:
    Unknown

    AlogP:
    0.25

    Polar Surface Area:
    108.97

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  13. ALA4636575

    Name:
    3-methyl-6-phenyl-1H-quinazoline-2,4-dione

    Mol. Formula:
    C15H12N2O2

    M.W.:
    252.27

    Type:
    Unknown

    AlogP:
    1.89

    Polar Surface Area:
    54.86

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.72

    DETAILS
  14. ALA4633118

    Name:
    (6-[[(E)-(4-fluorophenyl)methyleneamino]-methyl-am
    Show More

    Mol. Formula:
    C13H13FN4O2

    M.W.:
    276.27

    Type:
    Unknown

    AlogP:
    0.68

    Polar Surface Area:
    70.46

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  15. ALA5275243

    Name:
    2-(piperazin-1-ylmethyl)isonicotinic acid

    Mol. Formula:
    C11H15N3O2

    M.W.:
    221.26

    Type:
    ---

    AlogP:
    0.18

    Polar Surface Area:
    65.46

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  16. ALA5203320

    Name:
    2-(1H-pyrrol-2-yl)isonicotinic acid

    Mol. Formula:
    C10H8N2O2

    M.W.:
    188.19

    Type:
    ---

    AlogP:
    1.77

    Polar Surface Area:
    65.98

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  17. ALA5191740

    Name:
    1-((S)-5-((S)-2-((S)-2-aminopropanamido)-5-guanidi
    Show More

    Mol. Formula:
    C25H43N11O10

    M.W.:
    657.69

    Type:
    ---

    AlogP:
    -4.85

    Polar Surface Area:
    350.09

    HBA:
    13

    HBD:
    12

    #RO5 Violations:
    3

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  18. ALA5187819

    Name:
    3-(methylamino)isonicotinic acid

    Cas Number:
    1461602-59-4

    Mol. Formula:
    C7H8N2O2

    M.W.:
    152.15

    Type:
    ---

    AlogP:
    0.82

    Polar Surface Area:
    62.22

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  19. ALA4294944

    Name:
    1-(4-(1H-tetrazol-5-yl)pyridin-2-yl)-3-(3-chlorobe
    Show More

    Mol. Formula:
    C16H12ClN7O

    M.W.:
    353.77

    Type:
    Small molecule

    AlogP:
    2.40

    Polar Surface Area:
    105.40

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  20. ALA4294755

    Name:
    5-(4-(4-(2H-tetrazol-5-yl)pyridin-2-yl)-1-methyl-1
    Show More

    Mol. Formula:
    C23H17FN8O

    M.W.:
    440.44

    Type:
    Small molecule

    AlogP:
    3.72

    Polar Surface Area:
    114.27

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
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