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  1. ALA5197742

    Name:
    4-acetyl-N-(4-(sulfamoylmethyl)benzyl)-1H-pyrrole-2-carboxamide

    Mol. Formula:
    C15H17N3O4S

    M.W.:
    335.39

    Type:
    ---

    AlogP:
    0.94

    Polar Surface Area:
    122.12

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  2. ALA5180458

    Name:
    5-((3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylpropanamido)methyl)-2-meShow More

    Mol. Formula:
    C16H19N3O5

    M.W.:
    333.34

    Type:
    ---

    AlogP:
    2.14

    Polar Surface Area:
    109.67

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  3. ALA5179823

    Name:
    5-((6-ethoxy-N-methylchroman-3-carboxamido)methyl)-2-methylfuran-3-carboxylShow More

    Mol. Formula:
    C20H23NO6

    M.W.:
    373.41

    Type:
    ---

    AlogP:
    2.89

    Polar Surface Area:
    89.21

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  4. ALA4295234

    Name:
    6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-(3-phenylpropyl)-1,4-dihydrShow More

    Mol. Formula:
    C23H21N5O5

    M.W.:
    447.45

    Type:
    Small molecule

    AlogP:
    3.43

    Polar Surface Area:
    160.32

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  5. ALA4293449

    Name:
    6-amino-3-heptyl-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,4-dihydropyrano[2,Show More

    Mol. Formula:
    C21H25N5O5

    M.W.:
    427.46

    Type:
    Small molecule

    AlogP:
    3.76

    Polar Surface Area:
    160.32

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  6. ALA4291554

    Name:
    6-amino-3-(2-cyclopentylethyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,4-diShow More

    Mol. Formula:
    C21H23N5O5

    M.W.:
    425.45

    Type:
    Small molecule

    AlogP:
    3.37

    Polar Surface Area:
    160.32

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  7. ALA4290064

    Name:
    6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-pentyl-1,4-dihydropyrano[2,Show More

    Mol. Formula:
    C19H21N5O5

    M.W.:
    399.41

    Type:
    Small molecule

    AlogP:
    2.98

    Polar Surface Area:
    160.32

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  8. ALA4287291

    Name:
    6-amino-3-(2-cyclohexylethyl)-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,4-dihShow More

    Mol. Formula:
    C22H25N5O5

    M.W.:
    439.47

    Type:
    Small molecule

    AlogP:
    3.76

    Polar Surface Area:
    160.32

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  9. ALA4286233

    Name:
    6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-isopentyl-1,4-dihydropyranoShow More

    Mol. Formula:
    C19H21N5O5

    M.W.:
    399.41

    Type:
    Small molecule

    AlogP:
    2.84

    Polar Surface Area:
    160.32

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  10. ALA4282842

    Name:
    6-amino-3-hexyl-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-1,4-dihydropyrano[2,3Show More

    Mol. Formula:
    C20H23N5O5

    M.W.:
    413.43

    Type:
    Small molecule

    AlogP:
    3.37

    Polar Surface Area:
    160.32

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  11. ALA4280914

    Name:
    6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-neopentyl-1,4-dihydropyranoShow More

    Mol. Formula:
    C19H21N5O5

    M.W.:
    399.41

    Type:
    Small molecule

    AlogP:
    2.84

    Polar Surface Area:
    160.32

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  12. ALA4278318

    Name:
    6-amino-4-(4-hydroxy-3-methoxy-5-nitrophenyl)-3-(4-methylpentyl)-1,4-dihydrShow More

    Mol. Formula:
    C20H23N5O5

    M.W.:
    413.43

    Type:
    Small molecule

    AlogP:
    3.23

    Polar Surface Area:
    160.32

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  13. ALA2333924

    Name:
    1-[4-(1,1-Dioxo-1lambda*6*-isothiazolidin-2-yl)-benzenesulfonyl]-2-methyl-pShow More

    Mol. Formula:
    C15H22N2O4S2

    M.W.:
    358.49

    Type:
    Small molecule

    AlogP:
    1.79

    Polar Surface Area:
    74.76

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  14. ALA2333922

    Name:
    N-(4-(2-methylpiperidin-1-ylsulfonyl)phenyl)pivalamide

    Mol. Formula:
    C17H26N2O3S

    M.W.:
    338.47

    Type:
    Small molecule

    AlogP:
    3.23

    Polar Surface Area:
    66.48

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.92

    DETAILS
  15. ALA2333919

    Name:
    1-(6-(2-methylpiperidin-1-ylsulfonyl)pyridin-3-yl)pyrrolidin-2-one

    Mol. Formula:
    C15H21N3O3S

    M.W.:
    323.42

    Type:
    Small molecule

    AlogP:
    1.77

    Polar Surface Area:
    70.58

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  16. ALA2333533

    Name:
    1-(4-(2-Methylpiperidin-1-ylsulfonyl)phenyl)piperidin-2-one

    Mol. Formula:
    C17H24N2O3S

    M.W.:
    336.46

    Type:
    Small molecule

    AlogP:
    2.77

    Polar Surface Area:
    57.69

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  17. ALA2333532

    Name:
    1-(4-(2-Methylpiperidin-1-ylsulfonyl)phenyl)azetidin-2-one

    Mol. Formula:
    C15H20N2O3S

    M.W.:
    308.40

    Type:
    Small molecule

    AlogP:
    1.99

    Polar Surface Area:
    57.69

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  18. ALA2333527

    Name:
    (R)-1-(4-(3-hydroxypiperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-one

    Mol. Formula:
    C15H20N2O4S

    M.W.:
    324.40

    Type:
    Small molecule

    AlogP:
    0.96

    Polar Surface Area:
    77.92

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.90

    DETAILS
  19. ALA2333526

    Name:
    (S)-1-(4-(3-hydroxypiperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-one

    Mol. Formula:
    C15H20N2O4S

    M.W.:
    324.40

    Type:
    Small molecule

    AlogP:
    0.96

    Polar Surface Area:
    77.92

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.90

    DETAILS
  20. ALA2333525

    Name:
    1-(4-((2S,6S)-2,6-dimethylpiperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-one

    Mol. Formula:
    C17H24N2O3S

    M.W.:
    336.46

    Type:
    Small molecule

    AlogP:
    2.77

    Polar Surface Area:
    57.69

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
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