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Compounds

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12 Items

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  1. ALA4250966

    Name:
    N-[2-Methoxy-5-(1-methyl-4-{[(3R)-1-(tetrahydrofuran-3-ylacetyl)piperidin-3Show More⌵

    Mol. Formula:
    C26H34N6O6S

    M.W.:
    558.66

    3  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    2.45

    Polar Surface Area:
    137.77

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  2. ALA4250271

    Name:
    N-{2-Methoxy-5-[1-methyl-4-({(3R)-1-[2-(tetrahydro-2H-pyran-4-yl)ethyl]pipeShow More⌵

    Mol. Formula:
    C27H38N6O5S

    M.W.:
    558.71

    26  activity values

    12   unique targets

    Type:
    Small molecule

    AlogP:
    3.32

    Polar Surface Area:
    120.70

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  3. ALA4249694

    Name:
    N-[2-Methoxy-5-(1-methyl-4-{[1-(tetrahydro-2H-pyran-4-ylcarbonyl)azetidin-3Show More⌵

    Mol. Formula:
    C23H28N6O6S

    M.W.:
    516.58

    3  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    1.43

    Polar Surface Area:
    137.77

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  4. ALA4249087

    Name:
    N-[2-Methoxy-5-(1-methyl-4-{[(3R)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)piperShow More⌵

    Mol. Formula:
    C26H34N6O6S

    M.W.:
    558.66

    5  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    2.45

    Polar Surface Area:
    137.77

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  5. ALA4248505

    Name:
    N-{2-Methoxy-5-[1-methyl-4-({(3R)-1-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyShow More⌵

    Mol. Formula:
    C27H36N8O4S

    M.W.:
    568.70

    4  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    3.05

    Polar Surface Area:
    129.29

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  6. ALA4247328

    Name:
    N-{2-Methoxy-5-[1-methyl-4-({(3R)-1-[(3-methyloxetan-3-yl)methyl]piperidin-Show More⌵

    Mol. Formula:
    C25H34N6O5S

    M.W.:
    530.65

    4  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    2.54

    Polar Surface Area:
    120.70

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  7. ALA4246031

    Name:
    N-{5-[4-({(3R)-1-[(1,3-Dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methoShow More⌵

    Mol. Formula:
    C26H34N8O4S

    M.W.:
    554.68

    4  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    2.74

    Polar Surface Area:
    129.29

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  8. ALA4245438

    Name:
    N-[2-Methoxy-5-(1-methyl-4-{[(3S)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)piperShow More⌵

    Mol. Formula:
    C26H34N6O6S

    M.W.:
    558.66

    3  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    2.45

    Polar Surface Area:
    137.77

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  9. ALA4244862

    Name:
    N-{5-[4-({(3R)-1-[(1-Acetylpiperidin-4-yl)carbonyl]piperidin-3-yl}methoxy)-Show More⌵

    Mol. Formula:
    C28H37N7O6S

    M.W.:
    599.71

    3  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    2.29

    Polar Surface Area:
    148.85

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  10. ALA4242659

    Name:
    N-[2-Methoxy-5-(1-methyl-4-{[(3R)-1-(tetrahydro-2H-pyran-4-ylmethyl)piperidShow More⌵

    Mol. Formula:
    C26H36N6O5S

    M.W.:
    544.68

    6  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    2.93

    Polar Surface Area:
    120.70

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  11. ALA4159639

    Name:
    2-((6-amino-7H-purin-9(8H)-yl)methyl)-5-methyl-3-o-tolylquinazolin-4(3H)-onShow More⌵

    Mol. Formula:
    C22H21N7O

    M.W.:
    399.46

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    2.76

    Polar Surface Area:
    101.96

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  12. ALA2216855

    Name:
    5-((4-(4-(trifluoromethyl)piperidin-1-yl)pyrido[3,2-d]pyrimidin-6-yl)methylShow More⌵

    Mol. Formula:
    C17H14F3N5O2S

    M.W.:
    409.39

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.13

    Polar Surface Area:
    88.08

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
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