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  1. ALA4475266

    Name:
    Buphanisine-N-oxide

    Mol. Formula:
    C17H19NO4

    M.W.:
    301.34

    Type:
    Unknown

    AlogP:
    2.23

    Polar Surface Area:
    50.75

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  2. ALA4536495

    Name:
    (S)-N-((5S,8S,11S)-8,11-diisopropyl-7,10-dimethyl-
    Show More

    Mol. Formula:
    C37H64N6O5S

    M.W.:
    705.02

    Type:
    Unknown

    AlogP:
    3.28

    Polar Surface Area:
    131.16

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  3. ALA4534852

    Name:
    Perovskone C

    Mol. Formula:
    C30H40O4

    M.W.:
    464.65

    Type:
    Unknown

    AlogP:
    6.09

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  4. ALA4534247

    Name:
    Noraugustamine

    Mol. Formula:
    C17H19NO3

    M.W.:
    285.34

    Type:
    Unknown

    AlogP:
    2.27

    Polar Surface Area:
    39.72

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  5. ALA4558763

    Name:
    Phaedranamine

    Mol. Formula:
    C17H19NO4

    M.W.:
    301.34

    Type:
    Unknown

    AlogP:
    1.57

    Polar Surface Area:
    51.16

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  6. ALA4552547

    Name:
    Narcissidine

    Mol. Formula:
    C18H23NO5

    M.W.:
    333.38

    Type:
    Unknown

    AlogP:
    0.66

    Polar Surface Area:
    71.39

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  7. ALA4517311

    Name:
    (S)-2-((S)-N,3-dimethyl-2-((S)-3-methyl-2-(methyla
    Show More

    Mol. Formula:
    C31H53N5O4

    M.W.:
    559.80

    Type:
    Unknown

    AlogP:
    2.70

    Polar Surface Area:
    110.85

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  8. ALA4744091

    Name:
    4-(2-Methoxyphenyl)-6-(pyridin-2-yl)pyrimidine

    Mol. Formula:
    C16H14N4O

    M.W.:
    278.32

    Type:
    Unknown

    AlogP:
    2.80

    Polar Surface Area:
    73.92

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  9. ALA4743697

    Name:
    4,6-Bis(Pyridin-3-yl)pyrimidine

    Cas Number:
    942206-34-0

    Mol. Formula:
    C14H10N4

    M.W.:
    234.26

    Type:
    Unknown

    AlogP:
    2.60

    Polar Surface Area:
    51.56

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  10. ALA4740462

    Name:
    4-(2-Methoxyphenyl)-6-(pyridin-2-yl)pyrimidin-2-am
    Show More

    Mol. Formula:
    C16H13N3O

    M.W.:
    263.30

    Type:
    Unknown

    AlogP:
    3.21

    Polar Surface Area:
    47.90

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  11. ALA4765064

    Name:
    4-Phenyl-6-(pyridin-3-yl)pyrimidin-2-amine

    Mol. Formula:
    C15H12N4

    M.W.:
    248.29

    Type:
    Unknown

    AlogP:
    2.79

    Polar Surface Area:
    64.69

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  12. ALA4764717

    Name:
    4-(2H-1,3-benzodioxol-5-yl)-6-(pyridin-3-yl)pyrimi
    Show More

    Mol. Formula:
    C16H11N3O2

    M.W.:
    277.28

    Type:
    Unknown

    AlogP:
    2.93

    Polar Surface Area:
    57.13

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  13. ALA4764349

    Name:
    4-(2-Methoxyphenyl)-6-(pyridin-3-yl)pyrimidin-2-am
    Show More

    Mol. Formula:
    C16H14N4O

    M.W.:
    278.32

    Type:
    Unknown

    AlogP:
    2.80

    Polar Surface Area:
    73.92

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  14. ALA4764272

    Name:
    4,6-Bis(Pyridin-3-yl)pyrimidin-2-amine

    Mol. Formula:
    C14H11N5

    M.W.:
    249.28

    Type:
    Unknown

    AlogP:
    2.18

    Polar Surface Area:
    77.58

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  15. ALA4764054

    Name:
    4-(2-Methoxyphenyl)-6-(pyridin-4-yl)pyrimidine

    Mol. Formula:
    C16H14N4O

    M.W.:
    278.32

    Type:
    Unknown

    AlogP:
    2.80

    Polar Surface Area:
    73.92

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  16. ALA4763335

    Name:
    4-(4-Methoxyphenyl)-6-(pyridin-3-yl)pyrimidin-2-am
    Show More

    Mol. Formula:
    C16H14N4O

    M.W.:
    278.32

    Type:
    Unknown

    AlogP:
    2.80

    Polar Surface Area:
    73.92

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  17. ALA4763240

    Name:
    4-(3-Methoxyphenyl)-6-(pyridin-3-yl)pyrimidin-2-am
    Show More

    Mol. Formula:
    C16H14N4O

    M.W.:
    278.32

    Type:
    Unknown

    AlogP:
    2.80

    Polar Surface Area:
    73.92

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  18. ALA4575198

    Name:
    (S)-2-((S)-N,3-dimethyl-2-((S)-3-methyl-2-(methyla
    Show More

    Mol. Formula:
    C31H53N5O4S

    M.W.:
    591.86

    Type:
    Unknown

    AlogP:
    2.79

    Polar Surface Area:
    110.85

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  19. ALA4573785

    Name:
    3-O-acetylsanguinine

    Mol. Formula:
    C18H21NO4

    M.W.:
    315.37

    Type:
    Unknown

    AlogP:
    2.12

    Polar Surface Area:
    59.00

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  20. ALA4759442

    Name:
    4-(3,4-Dimethoxyphenyl)-6-(pyridin-3-yl)pyrimidin-
    Show More

    Mol. Formula:
    C17H16N4O2

    M.W.:
    308.34

    Type:
    Unknown

    AlogP:
    2.81

    Polar Surface Area:
    83.15

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
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