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Compounds

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Items 1-20 of 2,985

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  1. ALA5281613

    Name:
    (2S)-2-benzyl-N-[2-[[(1S,2R,3S)-1-(cyclohexylmethyl)-2,3-dihydroxy-5-methylShow More⌵

    Mol. Formula:
    C35H55N5O6S2

    M.W.:
    705.99

    Type:
    ---

    AlogP:
    2.83

    Polar Surface Area:
    152.17

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  2. ALA5275558

    Name:
    (2S)-6-amino-N-[(1S,5R,6S)-4-(cyclohexylmethyl)-5,6-dihydroxy-1-(1H-imidazoShow More⌵

    Mol. Formula:
    C37H58N4O6

    M.W.:
    654.89

    Type:
    ---

    AlogP:
    4.70

    Polar Surface Area:
    167.63

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  3. ALA5288530

    Name:
    (2S,4S,5S)-5-[[(2S)-2-[[(2S)-2-acetamido-3-phenyl-propanoyl]amino]hexanoyl]Show More⌵

    Mol. Formula:
    C36H60N4O5

    M.W.:
    628.90

    Type:
    ---

    AlogP:
    4.80

    Polar Surface Area:
    136.63

    HBA:
    5

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  4. ALA5206846

    Name:
    (2R)-N-Cyclopropyl-N-{[7-(3-methoxypropoxy)benzofuran-5-yl]methyl}morpholinShow More⌵

    Mol. Formula:
    C21H28N2O5

    M.W.:
    388.46

    2  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    2.33

    Polar Surface Area:
    73.17

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  5. ALA5205574

    Name:
    (3R)-N-Cyclopropyl-N-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}piperidiShow More⌵

    Mol. Formula:
    C21H32N2O4

    M.W.:
    376.50

    2  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    2.60

    Polar Surface Area:
    60.03

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  6. ALA5203591

    Name:
    rac-N-Cyclopropyl-N-{[1-(3-methoxypropyl)indol-3-yl]methyl}morpholine-2-carShow More⌵

    Mol. Formula:
    C21H29N3O3

    M.W.:
    371.48

    2  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    2.16

    Polar Surface Area:
    55.73

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  7. ALA5203297

    Name:
    rac-Methyl N-[3-(3-{[cyclopropyl-(morpholine-2-carbonyl)amino]methyl}indol-Show More⌵

    Mol. Formula:
    C22H30N4O4

    M.W.:
    414.51

    2  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    1.87

    Polar Surface Area:
    84.83

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  8. ALA5200104

    Name:
    Methyl N-[3-(3-{[cyclopropyl-((2R)-morpholine-2-carbonyl)amino]methyl}-6-meShow More⌵

    Mol. Formula:
    C22H31N5O4

    M.W.:
    429.52

    4  activity values

    3   unique targets

    Type:
    ---

    AlogP:
    1.57

    Polar Surface Area:
    97.72

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  9. ALA5199696

    Name:
    Methyl N-[3-(3-{(1S)-1-[cyclopropyl-((2R)-morpholine-2-carbonyl)amino]ethylShow More⌵

    Mol. Formula:
    C22H31N5O4

    M.W.:
    429.52

    3  activity values

    3   unique targets

    Type:
    ---

    AlogP:
    1.82

    Polar Surface Area:
    97.72

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  10. ALA5199179

    Name:
    (3R)-N-Cyclopropyl-N-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}pyrrolidShow More⌵

    Mol. Formula:
    C20H30N2O4

    M.W.:
    362.47

    2  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    2.21

    Polar Surface Area:
    60.03

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  11. ALA5197721

    Name:
    (2R)-N-Cyclopropyl-N-{[1-(3-methoxypropyl)-6-methyl-indol-3-yl]methyl}morphShow More⌵

    Mol. Formula:
    C22H31N3O3

    M.W.:
    385.51

    2  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    2.47

    Polar Surface Area:
    55.73

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  12. ALA5194608

    Name:
    (2R)-N-Cyclopropyl-N-{[1-(3-methoxypropyl)pyrrolo[3,2-c]pyridin-3-yl]methylShow More⌵

    Mol. Formula:
    C20H28N4O3

    M.W.:
    372.47

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    1.55

    Polar Surface Area:
    68.62

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  13. ALA5192644

    Name:
    (2R)-N-cyclopropyl-N-{[1-(3-methoxypropyl)pyrrolo[3,2-b]pyridin-3-yl]methylShow More⌵

    Mol. Formula:
    C20H28N4O3

    M.W.:
    372.47

    3  activity values

    3   unique targets

    Type:
    ---

    AlogP:
    1.55

    Polar Surface Area:
    68.62

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  14. ALA5190224

    Name:
    Methyl N-[3-(3-{[cyclopropyl-((2R)-morpholine-2-carbonyl)amino]methyl}-4-meShow More⌵

    Mol. Formula:
    C22H31N5O4

    M.W.:
    429.52

    4  activity values

    3   unique targets

    Type:
    ---

    AlogP:
    1.57

    Polar Surface Area:
    97.72

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  15. ALA5188936

    Name:
    Methyl N-[3-(7-{(1R)-1-[cyclopropyl-((2R)-morpholine-2-carbonyl)amino]ethylShow More⌵

    Mol. Formula:
    C21H30N6O4

    M.W.:
    430.51

    5  activity values

    3   unique targets

    Type:
    ---

    AlogP:
    1.22

    Polar Surface Area:
    110.61

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  16. ALA5188797

    Name:
    rac-N-Cyclopropyl-N-{[1-(2-methoxyethyl)indol-3-yl]methyl}morpholine-2-carbShow More⌵

    Mol. Formula:
    C20H27N3O3

    M.W.:
    357.45

    2  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    1.77

    Polar Surface Area:
    55.73

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  17. ALA5187830

    Name:
    methyl (R)-(3-(3-((N-cyclopropylmorpholine-2-carboxamido)methyl)-1H-indol-1Show More⌵

    Mol. Formula:
    C22H30N4O4

    M.W.:
    414.51

    9  activity values

    4   unique targets

    Type:
    ---

    AlogP:
    1.87

    Polar Surface Area:
    84.83

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  18. ALA5187637

    Name:
    N-Cyclopropyl-N-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}piperazine-2-Show More⌵

    Mol. Formula:
    C20H31N3O4

    M.W.:
    377.49

    2  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    1.16

    Polar Surface Area:
    72.06

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  19. ALA5186584

    Name:
    rac-N-Cyclopropyl-N-{[1-(4-methoxybutyl)indol-3-yl]methyl}morpholine-2-carbShow More⌵

    Mol. Formula:
    C22H31N3O3

    M.W.:
    385.51

    2  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    2.55

    Polar Surface Area:
    55.73

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  20. ALA5186347

    Name:
    (3S)-N-Cyclopropyl-N-{[4-methoxy-3-(3-methoxypropoxy)phenyl]methyl}pyrrolidShow More⌵

    Mol. Formula:
    C20H30N2O4

    M.W.:
    362.47

    2  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    2.21

    Polar Surface Area:
    60.03

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
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