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  1. ALA230286

    Name:
    4-(3,methylhydroxy3-methyltriaz-1-ene)-N-[4-methyl-3-(4-pyridin-3-yl-pyrimiShow More

    Mol. Formula:
    C25H24N8O2

    M.W.:
    468.52

    Type:
    Small molecule

    AlogP:
    4.72

    Polar Surface Area:
    127.99

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  2. ALA112245

    Name:
    N-{3-[(1Z)-3-(2-morpholin)triaz-1-enyl]phenyl}-4-pyridin-3-ylpyrimidin-2-amShow More

    Mol. Formula:
    C21H24N8O

    M.W.:
    404.48

    Type:
    Small molecule

    AlogP:
    3.39

    Polar Surface Area:
    99.92

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  3. ALA326925

    Name:
    N-{3-[(1Z)-3-(2-methoxyethyl)triaz-1-enyl]phenyl}-4-pyridin-3-ylpyrimidin-2Show More

    Mol. Formula:
    C18H19N7O

    M.W.:
    349.40

    Type:
    Small molecule

    AlogP:
    3.71

    Polar Surface Area:
    96.68

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  4. ALA326753

    Name:
    4-Amino-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamidShow More

    Mol. Formula:
    C23H20N6O

    M.W.:
    396.45

    Type:
    Small molecule

    AlogP:
    4.43

    Polar Surface Area:
    105.82

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  5. ALA113534

    Name:
    4-(3,ethylchloro3-methyltriaz-1-ene)-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidiShow More

    Mol. Formula:
    C26H25ClN8O

    M.W.:
    500.99

    Type:
    Small molecule

    AlogP:
    6.01

    Polar Surface Area:
    107.76

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  6. ALA113302

    Name:
    4-Amino-N-[3-(4-pyridin-3-yl-pyrimidin-2-ylamino)-phenyl]-benzamide

    Mol. Formula:
    C22H18N6O

    M.W.:
    382.43

    Type:
    Small molecule

    AlogP:
    4.12

    Polar Surface Area:
    105.82

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  7. ALA113486

    Name:
    4-[3-(2-methoxyethyl)triazanyl]-N-[3-(4-pyridin-3-ylpyrimidineamino)phenyl]Show More

    Mol. Formula:
    C25H24N8O2

    M.W.:
    468.52

    Type:
    Small molecule

    AlogP:
    4.96

    Polar Surface Area:
    125.78

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  8. ALA109329

    Name:
    4-3,3-dimethyltriaz-1-ene-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2-ylaminoShow More

    Mol. Formula:
    C25H24N8O

    M.W.:
    452.52

    Type:
    Small molecule

    AlogP:
    5.40

    Polar Surface Area:
    107.76

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  9. Imatinib (STI571)

    Name:
    4-(4-Methyl-piperazin-1-ylmethyl)-N-[4-methyl-3-(4-pyridin-3-yl-pyrimidin-2Show More

    Mol. Formula:
    C29H31N7O

    M.W.:
    493.62

    Type:
    Small molecule

    AlogP:
    4.59

    Polar Surface Area:
    86.28

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  10. ALA57553

    Name:
    N-(4-Pyridin-3-yl-pyrimidin-2-yl)-benzene-1,3-diamine

    Mol. Formula:
    C15H13N5

    M.W.:
    263.30

    Type:
    Small molecule

    AlogP:
    2.86

    Polar Surface Area:
    76.72

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  11. Temozolomide

    Name:
    3-Methyl-4-oxo-3,4-dihydro-imidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acShow More

    Mol. Formula:
    C6H6N6O2

    M.W.:
    194.15

    Type:
    Small molecule

    AlogP:
    -2.08

    Polar Surface Area:
    108.17

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
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