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Compounds

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  1. ALA4744156

    Name:
    4-{[6-Fluoro-4-hydroxy-8-(methylamino)-2-oxo-1,2-dihydroquinoline-3-carbonyShow More⌵

    Mol. Formula:
    C18H14FN3O5

    M.W.:
    371.32

    38  activity values

    20   unique targets

    Type:
    Unknown

    AlogP:
    2.37

    Polar Surface Area:
    131.52

    HBA:
    5

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  2. ALA4103856

    Name:
    2-(3-Acrylamido-4-methylphenylamino)-N-(5-(3,5-dimethoxybenzamido)-2-methylShow More⌵

    Mol. Formula:
    C32H33N7O5

    M.W.:
    595.66

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    5.53

    Polar Surface Area:
    155.60

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  3. ALA4103547

    Name:
    N-(3-(7-((3-Acrylamido-4-methylphenyl)amino)-1-methyl-2-oxo-1,2-dihydropyriShow More⌵

    Mol. Formula:
    C33H33N7O5

    M.W.:
    607.67

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    5.81

    Polar Surface Area:
    138.02

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  4. ALA4102474

    Name:
    (trans)-N-(3-(7-(3-Acrylamido-4-methylphenylamino)-1-methyl-2-oxo-1,2-dihydShow More⌵

    Mol. Formula:
    C32H37N7O3

    M.W.:
    567.69

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    6.30

    Polar Surface Area:
    119.56

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  5. ALA4101569

    Name:
    2-(3-Acrylamido-4-methylphenylamino)-N-(5-(2-methoxybenzamido)-2-methylphenShow More⌵

    Mol. Formula:
    C31H31N7O4

    M.W.:
    565.63

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    5.52

    Polar Surface Area:
    146.37

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  6. ALA4099855

    Name:
    N-(3-(7-(3-Acrylamido-4-methylphenylamino)-1-methyl-2-oxo-1,2-dihydropyrimiShow More⌵

    Mol. Formula:
    C32H28F3N7O3

    M.W.:
    615.62

    5  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    6.81

    Polar Surface Area:
    119.56

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  7. ALA4098823

    Name:
    (S)-N-(3-(7-((3-Acrylamido-4-methylphenyl)amino)-1-methyl-2-oxo-1,2-dihydroShow More⌵

    Mol. Formula:
    C30H36N8O3

    M.W.:
    556.67

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    4.85

    Polar Surface Area:
    145.58

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  8. ALA4098220

    Name:
    N-(3-(7-((3-Acrylamido-4-methylphenyl)amino)-1-methyl-2-oxo-1,2-dihydropyriShow More⌵

    Mol. Formula:
    C35H35N7O3

    M.W.:
    601.71

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    6.67

    Polar Surface Area:
    119.56

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  9. ALA4097888

    Name:
    N-(3-(7-((3-Acrylamido-4-methylphenyl)amino)-1-methyl-2-oxo-1,2-dihydropyriShow More⌵

    Mol. Formula:
    C33H34N8O3

    M.W.:
    590.69

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    5.86

    Polar Surface Area:
    122.80

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  10. ALA4095791

    Name:
    N-(3-(7-((3-Acrylamido-4-methylphenyl)amino)-1-methyl-2-oxo-1,2-dihydropyriShow More⌵

    Mol. Formula:
    C34H35N7O6

    M.W.:
    637.70

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    5.82

    Polar Surface Area:
    147.25

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  11. ALA4095181

    Name:
    2-(3-Acrylamido-4-methylphenylamino)-N-(2-methyl-5-(3-(trifluoromethyl)phenShow More⌵

    Mol. Formula:
    C31H28F3N7O3

    M.W.:
    603.61

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    6.53

    Polar Surface Area:
    137.14

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  12. ALA4093840

    Name:
    2-(4-Methyl-3-propionamidophenylamino)-N-(2-methyl-5-(3-(trifluoromethyl)beShow More⌵

    Mol. Formula:
    C31H30F3N7O3

    M.W.:
    605.62

    12  activity values

    10   unique targets

    Type:
    Small molecule

    AlogP:
    6.75

    Polar Surface Area:
    137.14

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  13. ALA4090174

    Name:
    N-(3-(7-((3-Acrylamido-4-methylphenyl)amino)-1-methyl-2-oxo-1,2-dihydropyriShow More⌵

    Mol. Formula:
    C32H30FN7O3

    M.W.:
    579.64

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    6.24

    Polar Surface Area:
    119.56

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  14. ALA4089476

    Name:
    2-(3-Acrylamido-4-methylphenylamino)-N-(5-(3,4-dimethoxybenzamido)-2-methylShow More⌵

    Mol. Formula:
    C32H33N7O5

    M.W.:
    595.66

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    5.53

    Polar Surface Area:
    155.60

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  15. ALA4088068

    Name:
    N-(3-(7-((3-Acrylamido-4-methylphenyl)amino)-1-methyl-2-oxo-1,2-dihydropyriShow More⌵

    Mol. Formula:
    C33H31N7O5

    M.W.:
    605.66

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    5.56

    Polar Surface Area:
    138.02

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  16. ALA4087478

    Name:
    2-(4-Methyl-3-propionamidophenylamino)-N-(2-methyl-5-(3,4,5-trimethoxybenzaShow More⌵

    Mol. Formula:
    C33H37N7O6

    M.W.:
    627.70

    17  activity values

    13   unique targets

    Type:
    Small molecule

    AlogP:
    5.76

    Polar Surface Area:
    164.83

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  17. ALA4087169

    Name:
    N-(3-(7-(3-Acrylamido-4-methylphenylamino)-1-methyl-2-oxo-1,2-dihydropyrimiShow More⌵

    Mol. Formula:
    C32H31N7O4

    M.W.:
    577.65

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    5.80

    Polar Surface Area:
    128.79

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  18. ALA4086774

    Name:
    (trans)-N-(3-(7-(3-Acrylamido-4-methylphenylamino)-1-methyl-2-oxo-1,2-dihydShow More⌵

    Mol. Formula:
    C34H41N7O3

    M.W.:
    595.75

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    6.94

    Polar Surface Area:
    119.56

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  19. ALA4086091

    Name:
    (trans)-N-(3-(7-(3-Acrylamido-4-methylphenylamino)-1-methyl-2-oxo-1,2-dihydShow More⌵

    Mol. Formula:
    C35H43N7O3

    M.W.:
    609.77

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    7.47

    Polar Surface Area:
    119.56

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  20. ALA4084978

    Name:
    2-(3-Acrylamido-4-methylphenylamino)-N-(2-methyl-5-(3,4,5-trimethoxyphenylcShow More⌵

    Mol. Formula:
    C33H35N7O6

    M.W.:
    625.69

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    5.53

    Polar Surface Area:
    164.83

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
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