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Compounds

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  1. ALA4564143

    Name:
    [4-[[4-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]-N,N-diethylcarbamate

    Mol. Formula:
    C25H25N3O4

    M.W.:
    431.49

    1  activity values

    1   unique targets

    Type:
    Unknown

    AlogP:
    5.03

    Polar Surface Area:
    87.74

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  2. ALA4528633

    Name:
    [4-[[3-(phenylcarbamoyl)phenyl]carbamoyl]phenyl]-N,N-diethylcarbamate

    Mol. Formula:
    C25H25N3O4

    M.W.:
    431.49

    1  activity values

    1   unique targets

    Type:
    Unknown

    AlogP:
    5.03

    Polar Surface Area:
    87.74

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  3. ALA4083997

    Name:
    (S)-(1-((4-ethoxyphenoxy)methyl)-6-isopropoxy-3,4-dihydroisoquinolin-2(1H)-Show More⌵

    Mol. Formula:
    C28H30FNO4

    M.W.:
    463.55

    9  activity values

    5   unique targets

    Type:
    Small molecule

    AlogP:
    5.83

    Polar Surface Area:
    48.00

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  4. ALA3742066

    Name:
    (rac)-ethyl 2-(2-(2-imino-4-oxothiazolidin-5-yl)acetamido)-5-methylthiophenShow More⌵

    Mol. Formula:
    C13H15N3O4S2

    M.W.:
    341.41

    8  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    1.73

    Polar Surface Area:
    108.35

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  5. ALA3237303

    Name:
    Methyl 4-(3-Acetyl-4-hydroxy-5-oxo-1-phenethyl-2,5-dihydro-1Hpyrrol-2-yl)beShow More⌵

    Mol. Formula:
    C22H21NO5

    M.W.:
    379.41

    4  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    3.00

    Polar Surface Area:
    83.91

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  6. ALA3237302

    Name:
    Methyl 4-(3-Acetyl-4-(acryloyloxy)-1-(2-(2-methyl-1H-indol-3-yl)-ethyl)-5-oShow More⌵

    Mol. Formula:
    C28H26N2O6

    M.W.:
    486.52

    Type:
    Small molecule

    AlogP:
    3.96

    Polar Surface Area:
    105.77

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  7. ALA3237301

    Name:
    Methyl 4-(3-Acetyl-4-(butyryloxy)-1-(2-(2-methyl-1H-indol-3-yl)-ethyl)-5-oxShow More⌵

    Mol. Formula:
    C29H30N2O6

    M.W.:
    502.57

    Type:
    Small molecule

    AlogP:
    4.58

    Polar Surface Area:
    105.77

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  8. ALA3237300

    Name:
    Methyl 4-(1-(2-(1H-Indol-3-yl)ethyl)-4-acetoxy-3-acetyl-5-oxo-2,5-dihydro-1Show More⌵

    Mol. Formula:
    C26H24N2O6

    M.W.:
    460.49

    6  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    3.49

    Polar Surface Area:
    105.77

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  9. ALA3237299

    Name:
    Methyl 4-(1-(2-(1H-Indol-3-yl)ethyl)-3-acetyl-4-amino-5-oxo-2,5-dihydro-1H-Show More⌵

    Mol. Formula:
    C24H23N3O4

    M.W.:
    417.47

    4  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    2.88

    Polar Surface Area:
    105.49

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  10. ALA3237298

    Name:
    Methyl 4-(1-(2-(1H-Indol-3-yl)ethyl)-3-acetyl-4-methoxy-5-oxo-2,5-dihydro-1Show More⌵

    Mol. Formula:
    C25H24N2O5

    M.W.:
    432.48

    6  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    3.57

    Polar Surface Area:
    88.70

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  11. ALA3237297

    Name:
    Methyl 4-(1-(3-(1H-Indol-3-yl)propyl)-4-hydroxy-3-nicotinoyl-5-oxo-2,5-dihyShow More⌵

    Mol. Formula:
    C29H25N3O5

    M.W.:
    495.54

    4  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    4.56

    Polar Surface Area:
    112.59

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  12. ALA3237296

    Name:
    Methyl 4-(1-((1H-Indol-3-yl)methyl)-4-hydroxy-3-isonicotinoyl-5-oxo-2,5-dihShow More⌵

    Mol. Formula:
    C27H21N3O5

    M.W.:
    467.48

    4  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    4.13

    Polar Surface Area:
    112.59

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  13. ALA3237295

    Name:
    Ethyl 4-(1-(2-(1H-Indol-3-yl)ethyl)-3-acetyl-4-hydroxy-5-oxo-2,5-dihydro-1HShow More⌵

    Mol. Formula:
    C25H24N2O6

    M.W.:
    448.48

    6  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    3.58

    Polar Surface Area:
    119.93

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  14. ALA3237294

    Name:
    Ethyl 4-(3-Acetyl-4-hydroxy-1-(2-(2-methyl-1H-indol-3-yl)ethyl)-5-oxo-2,5-dShow More⌵

    Mol. Formula:
    C26H26N2O5

    M.W.:
    446.50

    10  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    4.18

    Polar Surface Area:
    99.70

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  15. ALA3237293

    Name:
    Methyl 4-(4-Hydroxy-1-(2-(2-methyl-1H-indol-3-yl)ethyl)-3-nicotinoyl-5-oxo-Show More⌵

    Mol. Formula:
    C29H25N3O5

    M.W.:
    495.54

    6  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    4.48

    Polar Surface Area:
    112.59

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  16. ALA3237292

    Name:
    Ethyl 4-(1-(2-(1H-Indol-3-yl)ethyl)-4-hydroxy-3-isonicotinoyl-5-oxo-2,5-dihShow More⌵

    Mol. Formula:
    C29H25N3O5

    M.W.:
    495.54

    6  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    4.56

    Polar Surface Area:
    112.59

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  17. ALA3237291

    Name:
    Ethyl 4-(1-(2-(1H-Indol-3-yl)ethyl)-4-hydroxy-3-nicotinoyl-5-oxo-2,5-dihydrShow More⌵

    Mol. Formula:
    C29H25N3O5

    M.W.:
    495.54

    6  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    4.56

    Polar Surface Area:
    112.59

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  18. ALA3237290

    Name:
    Methyl 4-(3-Acetyl-4-hydroxy-1-(2-(7-methyl-1H-indol-3-yl)-ethyl)-5-oxo-2, Show More⌵

    Mol. Formula:
    C25H24N2O5

    M.W.:
    432.48

    6  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    3.79

    Polar Surface Area:
    99.70

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  19. ALA3237289

    Name:
    Methyl 4-(1-(2-(7-Chloro-1H-indol-3-yl)ethyl)-4-hydroxy-3-nicotinoyl-5-oxo-Show More⌵

    Mol. Formula:
    C28H22ClN3O5

    M.W.:
    515.95

    6  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    4.82

    Polar Surface Area:
    112.59

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  20. ALA3237288

    Name:
    Methyl 4-(1-(2-(7-Fluoro-1H-indol-3-yl)ethyl)-4-hydroxy-3-nicotinoyl-5-oxo-Show More⌵

    Mol. Formula:
    C28H22FN3O5

    M.W.:
    499.50

    6  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    4.31

    Polar Surface Area:
    112.59

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
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