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  1. ALA5279564

    Name:
    N-(5-((4-((2,6-difluorophenyl)amino)-5-fluoropyrim
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    Mol. Formula:
    C20H18F4N6O

    M.W.:
    434.40

    Type:
    ---

    AlogP:
    4.02

    Polar Surface Area:
    82.18

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  2. ALA1087791

    Name:
    Rescovitine

    Mol. Formula:
    C19H28N6O

    M.W.:
    356.47

    Type:
    Small molecule

    AlogP:
    2.87

    Polar Surface Area:
    85.34

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  3. ALA1077086

    Name:
    2-(5-Benzylidene-4-oxo-2-thioxothiazolidin-3-ylami
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    Mol. Formula:
    C28H22N6O6S2

    M.W.:
    602.65

    Type:
    Small molecule

    AlogP:
    4.33

    Polar Surface Area:
    169.43

    HBA:
    11

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  4. ALA1077085

    Name:
    6-(2,4-Dihydroxyphenyl)-4-methyl-N-(3-nitrophenyl)
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    Mol. Formula:
    C26H20N6O6S3

    M.W.:
    608.68

    Type:
    Small molecule

    AlogP:
    4.39

    Polar Surface Area:
    169.43

    HBA:
    12

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  5. ALA1077107

    Name:
    4-(2,4-Dihydroxyphenyl)-2-(5-(furan-2-ylmethylene)
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    Mol. Formula:
    C26H20N6O7S2

    M.W.:
    592.62

    Type:
    Small molecule

    AlogP:
    3.92

    Polar Surface Area:
    182.57

    HBA:
    12

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  6. ALA1087566

    Name:
    6-(2,4-Dihydroxyphenyl)-4-methyl-2-(3-methyl-5-oxo
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    Mol. Formula:
    C27H22N6O6S

    M.W.:
    558.58

    Type:
    Small molecule

    AlogP:
    4.28

    Polar Surface Area:
    169.76

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  7. ALA1087440

    Name:
    6-(2,4-Dihydroxyphenyl)-2-(4-(furan-2-ylmethylene)
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    Mol. Formula:
    C27H22N6O7

    M.W.:
    542.51

    Type:
    Small molecule

    AlogP:
    3.81

    Polar Surface Area:
    182.90

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  8. ALA1098059

    Name:
    ethyl 1-methyl-8-(phenylamino)-4,5-dihydro-1H-pyra
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    Mol. Formula:
    C19H19N5O2

    M.W.:
    349.39

    Type:
    Small molecule

    AlogP:
    2.90

    Polar Surface Area:
    81.93

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  9. ALA1098058

    Name:
    8-(Phenylamino)-1-[2-(piperidin-1-yl)ethyl]-4,5-di
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    Mol. Formula:
    C23H27N7O

    M.W.:
    417.52

    Type:
    Small molecule

    AlogP:
    2.77

    Polar Surface Area:
    101.96

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  10. ALA1098057

    Name:
    1-(1-Methylpiperidin-4-yl)-8-(phenylamino)-4,5-dih
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    Mol. Formula:
    C22H25N7O

    M.W.:
    403.49

    Type:
    Small molecule

    AlogP:
    2.55

    Polar Surface Area:
    101.96

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  11. ALA1094735

    Name:
    8-(Phenylamino)-1-(propan-2-yl)-4,5-dihydro-1H-pyr
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    Mol. Formula:
    C19H20N6O

    M.W.:
    348.41

    Type:
    Small molecule

    AlogP:
    2.86

    Polar Surface Area:
    98.72

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  12. ALA1094402

    Name:
    1-Cyclohexyl-8-(phenylamino)-4,5-dihydro-1H-pyrazo
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    Mol. Formula:
    C22H24N6O

    M.W.:
    388.48

    Type:
    Small molecule

    AlogP:
    3.79

    Polar Surface Area:
    98.72

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  13. ALA1094401

    Name:
    8-(Phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quin
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    Mol. Formula:
    C16H14N6O

    M.W.:
    306.33

    Type:
    Small molecule

    AlogP:
    1.81

    Polar Surface Area:
    109.58

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  14. ALA1094400

    Name:
    1-Phenyl-8-(phenylamino)-4,5-dihydro-1H-pyrazolo[4
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    Mol. Formula:
    C22H18N6O

    M.W.:
    382.43

    Type:
    Small molecule

    AlogP:
    3.27

    Polar Surface Area:
    98.72

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  15. ALA1095709

    Name:
    8-(Phenylamino)-1-(2,2,2-trifluoroethyl)-4,5-dihyd
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    Mol. Formula:
    C18H15F3N6O

    M.W.:
    388.35

    Type:
    Small molecule

    AlogP:
    2.84

    Polar Surface Area:
    98.72

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  16. ALA1097374

    Name:
    8-{[2-Acetyl-3-(4-methylpiperazin-1-yl)phenyl]amin
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    Mol. Formula:
    C24H28N8O2

    M.W.:
    460.54

    Type:
    Small molecule

    AlogP:
    1.77

    Polar Surface Area:
    122.27

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  17. ALA1097022

    Name:
    8-[(2-Aminophenyl)amino]-1-methyl-4,5-dihydro-1H-p
    Show More

    Mol. Formula:
    C17H17N7O

    M.W.:
    335.37

    Type:
    Small molecule

    AlogP:
    1.40

    Polar Surface Area:
    124.74

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  18. ALA1094820

    Name:
    1-Methyl-8-{[2-(phenylamino)phenyl]amino}-4,5-dihy
    Show More

    Mol. Formula:
    C23H21N7O

    M.W.:
    411.47

    Type:
    Small molecule

    AlogP:
    3.56

    Polar Surface Area:
    110.75

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  19. ALA1094488

    Name:
    8-[(2-Benzylphenyl)amino]-1-methyl-4,5-dihydro-1H-
    Show More

    Mol. Formula:
    C24H22N6O

    M.W.:
    410.48

    Type:
    Small molecule

    AlogP:
    3.41

    Polar Surface Area:
    98.72

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  20. ALA1094817

    Name:
    8-(Biphenyl-2-ylamino)-1-methyl-4,5-dihydro-1H-pyr
    Show More

    Mol. Formula:
    C23H20N6O

    M.W.:
    396.45

    Type:
    Small molecule

    AlogP:
    3.49

    Polar Surface Area:
    98.72

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
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