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  1. ALA3717424

    Name:
    N-[3-({2-[(6-hydroxy-1,3-benzothiazol-2-yl)amino]-2-oxoethyl}amino)-3-oxo-1Show More

    Mol. Formula:
    C25H22N4O4S

    M.W.:
    474.54

    Type:
    Small molecule

    AlogP:
    3.62

    Polar Surface Area:
    120.42

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  2. ALA3719083

    Name:
    N-{3-[(6-hydroxy-1,3-benzothiazol-2-yl)amino]-3-oxo-1-phenylpropyl}benzamidShow More

    Mol. Formula:
    C23H19N3O3S

    M.W.:
    417.49

    Type:
    Small molecule

    AlogP:
    4.50

    Polar Surface Area:
    91.32

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  3. ALA3717335

    Name:
    4'-ethyl-N-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-4-ylamino)ethyl]biphenylShow More

    Mol. Formula:
    C26H27N3O2

    M.W.:
    413.52

    Type:
    Small molecule

    AlogP:
    3.61

    Polar Surface Area:
    70.23

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  4. ALA3717643

    Name:
    1,1-dimethylethyl 4-({N-[(4'-ethylbiphenyl-4-yl)carbonyl]glycyl}amino)-3,4-Show More

    Mol. Formula:
    C31H35N3O4

    M.W.:
    513.64

    Type:
    Small molecule

    AlogP:
    5.25

    Polar Surface Area:
    87.74

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  5. ALA3717846

    Name:
    N-{3-[(2-{[5-(methyloxy)[1,3]thiazolo[5,4-b]pyridin-2-yl]amino}-2-oxoethyl)Show More

    Mol. Formula:
    C25H23N5O4S

    M.W.:
    489.56

    Type:
    Small molecule

    AlogP:
    3.32

    Polar Surface Area:
    122.31

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  6. ALA3717276

    Name:
    N-[3-({2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl}amino)-3-oxo-1-phenyShow More

    Mol. Formula:
    C22H22N4O3S

    M.W.:
    422.51

    Type:
    Small molecule

    AlogP:
    3.07

    Polar Surface Area:
    100.19

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  7. ALA3716742

    Name:
    N-(3-oxo-3-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino}-1-phenylpropyl)benShow More

    Mol. Formula:
    C21H20N4O3S

    M.W.:
    408.48

    Type:
    Small molecule

    AlogP:
    2.76

    Polar Surface Area:
    100.19

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  8. ALA3718766

    Name:
    N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-4-phenylpiperazinShow More

    Mol. Formula:
    C23H28N4O2

    M.W.:
    392.50

    Type:
    Small molecule

    AlogP:
    2.71

    Polar Surface Area:
    64.68

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  9. ALA3715546

    Name:
    N-(3-{[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl]amino}-3-oxo-1-phenylpropyShow More

    Mol. Formula:
    C25H22N4O3S

    M.W.:
    458.54

    Type:
    Small molecule

    AlogP:
    3.91

    Polar Surface Area:
    100.19

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  10. ALA3718863

    Name:
    N-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]-4-piperidin-1-ylbShow More

    Mol. Formula:
    C24H29N3O2

    M.W.:
    391.52

    Type:
    Small molecule

    AlogP:
    3.92

    Polar Surface Area:
    61.44

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  11. ALA3717227

    Name:
    N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-3-piperidin-1-ylpShow More

    Mol. Formula:
    C20H29N3O2

    M.W.:
    343.47

    Type:
    Small molecule

    AlogP:
    2.17

    Polar Surface Area:
    61.44

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  12. ALA3718595

    Name:
    N-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]quinoline-3-carboxShow More

    Mol. Formula:
    C22H21N3O2

    M.W.:
    359.43

    Type:
    Small molecule

    AlogP:
    3.48

    Polar Surface Area:
    71.09

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  13. ALA3715570

    Name:
    N-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-1-ylamino)ethyl]quinoline-6-carboxShow More

    Mol. Formula:
    C22H21N3O2

    M.W.:
    359.43

    Type:
    Small molecule

    AlogP:
    3.48

    Polar Surface Area:
    71.09

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  14. ALA3715338

    Name:
    N-(phenylcarbonyl)-beta-alanyl-N-[6-(methyloxy)-1,3-benzothiazol-2-yl]glyciShow More

    Mol. Formula:
    C20H20N4O4S

    M.W.:
    412.47

    Type:
    Small molecule

    AlogP:
    2.18

    Polar Surface Area:
    109.42

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  15. ALA3719243

    Name:
    3-(acetylamino)-N-(2-{[6-(methyloxy)-1,3-benzothiazol-2-yl]amino}-2-oxoethyShow More

    Mol. Formula:
    C21H22N4O4S

    M.W.:
    426.50

    Type:
    Small molecule

    AlogP:
    2.63

    Polar Surface Area:
    109.42

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  16. ALA3716774

    Name:
    4'-ethyl-N-{2-oxo-2-[(1-phenylpropyl)amino]ethyl}biphenyl-4-carboxamide

    Mol. Formula:
    C26H28N2O2

    M.W.:
    400.52

    Type:
    Small molecule

    AlogP:
    4.91

    Polar Surface Area:
    58.20

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  17. ALA3717552

    Name:
    N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]-5,6,7,8-tetrahydrShow More

    Mol. Formula:
    C23H26N2O2

    M.W.:
    362.47

    Type:
    Small molecule

    AlogP:
    3.49

    Polar Surface Area:
    58.20

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  18. ALA3717117

    Name:
    N-(3-oxo-3-{[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]amino}-1Show More

    Mol. Formula:
    C28H29N3O3

    M.W.:
    455.56

    Type:
    Small molecule

    AlogP:
    3.86

    Polar Surface Area:
    87.30

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  19. ALA3717713

    Name:
    N-[2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl]quinoline-6-carboxShow More

    Mol. Formula:
    C22H21N3O2

    M.W.:
    359.43

    Type:
    Small molecule

    AlogP:
    3.16

    Polar Surface Area:
    71.09

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  20. ALA3716416

    Name:
    4'-ethyl-N-[2-oxo-2-({[2-(trifluoromethyl)phenyl]methyl}amino)ethyl]biphenyShow More

    Mol. Formula:
    C25H23F3N2O2

    M.W.:
    440.47

    Type:
    Small molecule

    AlogP:
    4.98

    Polar Surface Area:
    58.20

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
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