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  1. ALA3728227

    Name:
    2,4-dihydroxy-N-(4-(methyl(quinoxalin-6-ylmethyl)c
    Show More

    Mol. Formula:
    C29H24N4O4S

    M.W.:
    524.60

    Type:
    Small molecule

    AlogP:
    5.22

    Polar Surface Area:
    106.86

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  2. ALA3718685

    Name:
    1-(2,4-dihydroxybenzoyl)-N,N-diethyl-2-methyl-1,2,
    Show More

    Mol. Formula:
    C21H26N2O5S

    M.W.:
    418.52

    Type:
    Small molecule

    AlogP:
    3.11

    Polar Surface Area:
    98.15

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  3. ALA3717058

    Name:
    N-[1-(2,4-dihydroxybenzoyl)-1,2,3,4-tetrahydroquin
    Show More

    Mol. Formula:
    C20H22N2O4

    M.W.:
    354.41

    Type:
    Small molecule

    AlogP:
    3.29

    Polar Surface Area:
    89.87

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  4. ALA3719351

    Name:
    4-[6-(3-methylpyridin-2-yl)-2-(pyridin-3-yl)-1,2,3
    Show More

    Mol. Formula:
    C27H23N3O3

    M.W.:
    437.50

    Type:
    Small molecule

    AlogP:
    5.20

    Polar Surface Area:
    86.55

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  5. ALA3717054

    Name:
    4-[2-(thiophen-2-yl)-1,2,3,4-tetrahydroquinoline-1
    Show More

    Mol. Formula:
    C20H17NO3S

    M.W.:
    351.43

    Type:
    Small molecule

    AlogP:
    4.49

    Polar Surface Area:
    60.77

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  6. ALA3716199

    Name:
    4-[2-(furan-2-yl)-1,2,3,4-tetrahydroquinoline-1-ca
    Show More

    Mol. Formula:
    C20H17NO4

    M.W.:
    335.36

    Type:
    Small molecule

    AlogP:
    4.03

    Polar Surface Area:
    73.91

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  7. ALA3718673

    Name:
    4-[2-(pyridin-2-yl)-1,2,3,4-tetrahydroquinoline-1-
    Show More

    Mol. Formula:
    C21H18N2O3

    M.W.:
    346.39

    Type:
    Small molecule

    AlogP:
    3.83

    Polar Surface Area:
    73.66

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  8. ALA3717293

    Name:
    4-[2-(3,5-dimethyl-1H-pyrazol-4-yl)-1,2,3,4-tetrah
    Show More

    Mol. Formula:
    C21H21N3O3

    M.W.:
    363.42

    Type:
    Small molecule

    AlogP:
    3.77

    Polar Surface Area:
    89.45

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  9. ALA3718886

    Name:
    4-[2-(1H-pyrazol-5-yl)-1,2,3,4-tetrahydroquinoline
    Show More

    Mol. Formula:
    C19H17N3O3

    M.W.:
    335.36

    Type:
    Small molecule

    AlogP:
    3.16

    Polar Surface Area:
    89.45

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  10. ALA3716343

    Name:
    4-[2-(pyridin-3-yl)-1,2,3,4-tetrahydroquinoline-1-
    Show More

    Mol. Formula:
    C21H18N2O3

    M.W.:
    346.39

    Type:
    Small molecule

    AlogP:
    3.83

    Polar Surface Area:
    73.66

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  11. ALA3719338

    Name:
    N-{[1-(2,4-dihydroxybenzoyl)-6-(3-methylpyridin-2-
    Show More

    Mol. Formula:
    C24H25N3O5S

    M.W.:
    467.55

    Type:
    Small molecule

    AlogP:
    2.98

    Polar Surface Area:
    119.83

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  12. ALA3717631

    Name:
    N-{[1-(2,4-dihydroxybenzoyl)-1,2,3,4-tetrahydroqui
    Show More

    Mol. Formula:
    C18H20N2O5S

    M.W.:
    376.43

    Type:
    Small molecule

    AlogP:
    1.61

    Polar Surface Area:
    106.94

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  13. ALA3718579

    Name:
    (2,4-dihydroxyphenyl)(2-(trifluoromethyl)-3,4-dihy
    Show More

    Mol. Formula:
    C17H14F3NO3

    M.W.:
    337.30

    Type:
    Small molecule

    AlogP:
    3.62

    Polar Surface Area:
    60.77

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  14. ALA3716039

    Name:
    N-{[1-(2,4-dihydroxybenzoyl)-1,2,3,4-tetrahydroqui
    Show More

    Mol. Formula:
    C19H17F3N2O4

    M.W.:
    394.35

    Type:
    Small molecule

    AlogP:
    2.74

    Polar Surface Area:
    89.87

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  15. ALA3715044

    Name:
    4-[(2S)-6-(2-chloro-5-methylpyrimidin-4-yl)-2-meth
    Show More

    Mol. Formula:
    C23H21ClN2O3

    M.W.:
    408.89

    Type:
    Small molecule

    AlogP:
    5.07

    Polar Surface Area:
    83.31

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  16. ALA3719333

    Name:
    4-[2-methyl-6-(3-methylpyridin-2-yl)-1,2,3,4-tetra
    Show More

    Mol. Formula:
    C24H23NO3

    M.W.:
    373.45

    Type:
    Small molecule

    AlogP:
    5.02

    Polar Surface Area:
    70.42

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  17. ALA3718275

    Name:
    (2S)-1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-N-(pyri
    Show More

    Mol. Formula:
    C25H25N3O4

    M.W.:
    431.49

    Type:
    Small molecule

    AlogP:
    3.75

    Polar Surface Area:
    93.97

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  18. ALA3718953

    Name:
    4-[6-(2,3-dihydro-1H-isoindole-2-carbonyl)-1,2,3,4
    Show More

    Mol. Formula:
    C25H22N2O4

    M.W.:
    414.46

    Type:
    Small molecule

    AlogP:
    3.85

    Polar Surface Area:
    81.08

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  19. ALA3718317

    Name:
    1-(2,4-dihydroxybenzoyl)-N,2-dimethyl-N-(2,2,2-tri
    Show More

    Mol. Formula:
    C21H21F3N2O4

    M.W.:
    422.40

    Type:
    Small molecule

    AlogP:
    3.71

    Polar Surface Area:
    81.08

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  20. ALA3715758

    Name:
    4-chloro-6-{[(2R)-6-fluoro-2-methyl-3,4-dihydro-2H
    Show More

    Mol. Formula:
    C17H15ClFNO3

    M.W.:
    335.76

    Type:
    Small molecule

    AlogP:
    3.87

    Polar Surface Area:
    60.77

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
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