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  1. ALA2417891

    Name:
    3-benzyl-5-phenylpyrazin-2(1H)-one

    Mol. Formula:
    C17H14N2O

    M.W.:
    262.31

    Type:
    Small molecule

    AlogP:
    3.03

    Polar Surface Area:
    45.75

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  2. ALA2417890

    Name:
    3-((1H-indol-3-yl)methyl)-5-(4-(3-(methylamino)propoxy)phenyl)pyrazin-2(1H)Show More

    Mol. Formula:
    C23H24N4O2

    M.W.:
    388.47

    Type:
    Small molecule

    AlogP:
    3.50

    Polar Surface Area:
    82.80

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  3. ALA2417889

    Name:
    3-((1H-indol-3-yl)methyl)-5-(4-(3-(dimethylamino)propoxy)phenyl)pyrazin-2(1Show More

    Mol. Formula:
    C24H26N4O2

    M.W.:
    402.50

    Type:
    Small molecule

    AlogP:
    3.84

    Polar Surface Area:
    74.01

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  4. ALA2417888

    Name:
    5-(4-(4-(dimethylamino)butoxy)phenyl)-3-(4-methoxybenzyl)pyrazin-2(1H)-one

    Mol. Formula:
    C24H29N3O3

    M.W.:
    407.51

    Type:
    Small molecule

    AlogP:
    3.76

    Polar Surface Area:
    67.45

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  5. ALA2417887

    Name:
    3-(3-bromo-4-methoxybenzyl)-5-(3,5-dibromo-4-(4-(dimethylamino)butoxy)phenyShow More

    Mol. Formula:
    C24H26Br3N3O3

    M.W.:
    644.20

    Type:
    Small molecule

    AlogP:
    6.04

    Polar Surface Area:
    67.45

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  6. ALA2417886

    Name:
    3-(3-bromo-4-methoxybenzyl)-5-(3,5-dibromo-4-(4-morpholinobutoxy)phenyl)pyrShow More

    Mol. Formula:
    C26H28Br3N3O4

    M.W.:
    686.24

    Type:
    Small molecule

    AlogP:
    5.82

    Polar Surface Area:
    76.68

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  7. ALA2417885

    Name:
    3-(3-bromo-4-hydroxybenzyl)-5-(3,5-dibromo-4-(3-(dimethylamino)propoxy)phenShow More

    Mol. Formula:
    C22H22Br3N3O3

    M.W.:
    616.15

    Type:
    Small molecule

    AlogP:
    5.35

    Polar Surface Area:
    78.45

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  8. ALA2417884

    Name:
    5-(4-(3-(dimethylamino)propoxy)phenyl)-3-(4-methoxybenzyl)pyrazin-2(1H)-one

    Mol. Formula:
    C23H27N3O3

    M.W.:
    393.49

    Type:
    Small molecule

    AlogP:
    3.37

    Polar Surface Area:
    67.45

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  9. ALA2417883

    Name:
    3-(4-methoxybenzyl)-5-(4-(3-morpholinopropoxy)phenyl)pyrazin-2(1H)-one

    Mol. Formula:
    C25H29N3O4

    M.W.:
    435.52

    Type:
    Small molecule

    AlogP:
    3.14

    Polar Surface Area:
    76.68

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  10. ALA2417882

    Name:
    3-(3-bromo-4-methoxybenzyl)-5-(3,5-dibromo-4-(3-(diethylamino)propoxy)phenyShow More

    Mol. Formula:
    C25H28Br3N3O3

    M.W.:
    658.23

    Type:
    Small molecule

    AlogP:
    6.43

    Polar Surface Area:
    67.45

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  11. ALA2417881

    Name:
    3-(3-bromo-4-methoxybenzyl)-5-(3,5-dibromo-4-(3-morpholinopropoxy)phenyl)pyShow More

    Mol. Formula:
    C25H26Br3N3O4

    M.W.:
    672.21

    Type:
    Small molecule

    AlogP:
    5.42

    Polar Surface Area:
    76.68

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  12. ALA2417880

    Name:
    5-(3,5-dibromo-4-(3-(dimethylamino)propoxy)phenyl)-3-isopropylpyrazin-2(1H)Show More

    Mol. Formula:
    C18H23Br2N3O2

    M.W.:
    473.21

    Type:
    Small molecule

    AlogP:
    4.42

    Polar Surface Area:
    58.22

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  13. ALA2417879

    Name:
    3-((1H-indol-3-yl)methyl)-5-(3,5-dibromo-4-(3-(methylamino)propoxy)phenyl)pShow More

    Mol. Formula:
    C23H22Br2N4O2

    M.W.:
    546.26

    Type:
    Small molecule

    AlogP:
    5.02

    Polar Surface Area:
    82.80

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  14. ALA2417878

    Name:
    3-((1H-indol-3-yl)methyl)-5-(3,5-dibromo-4-(3-(dimethylamino)propoxy)phenylShow More

    Mol. Formula:
    C24H24Br2N4O2

    M.W.:
    560.29

    Type:
    Small molecule

    AlogP:
    5.36

    Polar Surface Area:
    74.01

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  15. ALA2417877

    Name:
    3-(3-chloro-4-methoxybenzyl)-5-(3,5-dichloro-4-(3-(dimethylamino)propoxy)phShow More

    Mol. Formula:
    C23H24Cl3N3O3

    M.W.:
    496.82

    Type:
    Small molecule

    AlogP:
    5.33

    Polar Surface Area:
    67.45

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  16. ALA2417779

    Name:
    3-(3-bromo-4-methoxybenzyl)-5-(3,5-dibromo-4-(2-(methylamino)ethoxy)phenyl)Show More

    Mol. Formula:
    C21H20Br3N3O3

    M.W.:
    602.12

    Type:
    Small molecule

    AlogP:
    4.92

    Polar Surface Area:
    76.24

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  17. ALA2417778

    Name:
    3-(3-bromo-4-methoxybenzyl)-5-(3,5-dibromo-4-(2-(dimethylamino)ethoxy)phenyShow More

    Mol. Formula:
    C22H22Br3N3O3

    M.W.:
    616.15

    Type:
    Small molecule

    AlogP:
    5.26

    Polar Surface Area:
    67.45

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  18. ALA2417777

    Name:
    3-benzyl-5-(3,5-dibromo-4-(3-(methylamino)propoxy)phenyl)pyrazin-2(1H)-one

    Mol. Formula:
    C21H21Br2N3O2

    M.W.:
    507.23

    Type:
    Small molecule

    AlogP:
    4.54

    Polar Surface Area:
    67.01

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  19. ALA2417776

    Name:
    3-benzyl-5-(3,5-dibromo-4-(3-(dimethylamino)propoxy)phenyl)pyrazin-2(1H)-onShow More

    Mol. Formula:
    C22H23Br2N3O2

    M.W.:
    521.25

    Type:
    Small molecule

    AlogP:
    4.88

    Polar Surface Area:
    58.22

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
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