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  1. ALA2115163

    Name:
    2-(5-Chloro-1H-indol-3-yl)-N-indan-1-yl-2-oxo-acetamide

    Mol. Formula:
    C19H15ClN2O2

    M.W.:
    338.79

    Type:
    Small molecule

    AlogP:
    3.81

    Polar Surface Area:
    61.96

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  2. ALA2114136

    Name:
    2-(5-Nitro-1H-indol-3-yl)-2-oxo-N-(1-phenyl-ethyl)-acetamide

    Mol. Formula:
    C18H15N3O4

    M.W.:
    337.34

    Type:
    Small molecule

    AlogP:
    3.14

    Polar Surface Area:
    105.10

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  3. ALA2114135

    Name:
    2-(5-Nitro-1H-indol-3-yl)-2-oxo-N-(1-p-tolyl-ethyl)-acetamide

    Mol. Formula:
    C19H17N3O4

    M.W.:
    351.36

    Type:
    Small molecule

    AlogP:
    3.44

    Polar Surface Area:
    105.10

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  4. ALA2114132

    Name:
    2-(1H-Indol-3-yl)-2-oxo-N-(1-p-tolyl-ethyl)-acetamide

    Mol. Formula:
    C19H18N2O2

    M.W.:
    306.37

    Type:
    Small molecule

    AlogP:
    3.54

    Polar Surface Area:
    61.96

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  5. ALA2114131

    Name:
    2-(5-Chloro-1H-indol-3-yl)-2-oxo-N-(1-phenyl-ethyl)-acetamide

    Mol. Formula:
    C18H15ClN2O2

    M.W.:
    326.78

    Type:
    Small molecule

    AlogP:
    3.88

    Polar Surface Area:
    61.96

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  6. ALA2114128

    Name:
    N-Indan-1-yl-2-(1H-indol-3-yl)-2-oxo-acetamide

    Mol. Formula:
    C19H16N2O2

    M.W.:
    304.35

    Type:
    Small molecule

    AlogP:
    3.15

    Polar Surface Area:
    61.96

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  7. ALA2114127

    Name:
    2-(5-Nitro-1H-indol-3-yl)-N-[1-(4-nitro-phenyl)-ethyl]-2-oxo-acetamide

    Mol. Formula:
    C18H14N4O6

    M.W.:
    382.33

    Type:
    Small molecule

    AlogP:
    3.04

    Polar Surface Area:
    148.24

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  8. ALA2114126

    Name:
    2-(5-Chloro-1H-indol-3-yl)-N-[1-(4-nitro-phenyl)-ethyl]-2-oxo-acetamide

    Mol. Formula:
    C18H14ClN3O4

    M.W.:
    371.78

    Type:
    Small molecule

    AlogP:
    3.79

    Polar Surface Area:
    105.10

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  9. ALA2114125

    Name:
    2-(5-Chloro-1H-indol-3-yl)-N-indan-1-yl-2-oxo-acetamide

    Mol. Formula:
    C19H15ClN2O2

    M.W.:
    338.79

    Type:
    Small molecule

    AlogP:
    3.81

    Polar Surface Area:
    61.96

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  10. ALA2114124

    Name:
    2-(5-Nitro-1H-indol-3-yl)-N-indan-1-yl-2-oxo-acetamide

    Mol. Formula:
    C19H15N3O4

    M.W.:
    349.35

    Type:
    Small molecule

    AlogP:
    3.06

    Polar Surface Area:
    105.10

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  11. ALA2114123

    Name:
    2-(5-Chloro-1H-indol-3-yl)-2-oxo-N-(1-p-tolyl-ethyl)-acetamide

    Mol. Formula:
    C19H17ClN2O2

    M.W.:
    340.81

    Type:
    Small molecule

    AlogP:
    4.19

    Polar Surface Area:
    61.96

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  12. ALA2114121

    Name:
    2-(1H-Indol-3-yl)-2-oxo-N-(1-phenyl-ethyl)-acetamide

    Mol. Formula:
    C18H16N2O2

    M.W.:
    292.34

    Type:
    Small molecule

    AlogP:
    3.23

    Polar Surface Area:
    61.96

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  13. ALA2051966

    Name:
    9H-beta-carboline-3-carboxylic acid

    Mol. Formula:
    C13H10N2O2

    M.W.:
    229.25

    Type:
    Small molecule

    AlogP:
    2.45

    Polar Surface Area:
    54.98

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.65

    DETAILS
  14. ALA1203388

    Name:
    2,3,4,9-Tetrahydro-1H-beta-carboline-3-carboxylic acid benzyl ester hydrochShow More

    Mol. Formula:
    C19H19ClN2O2

    M.W.:
    342.83

    Type:
    Small molecule

    AlogP:
    2.93

    Polar Surface Area:
    54.12

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  15. ALA521901

    Name:
    N-Indan-1-yl-2-(5-nitro-1H-indol-3-yl)-2-oxo-acetamide

    Mol. Formula:
    C19H15N3O4

    M.W.:
    349.35

    Type:
    Small molecule

    AlogP:
    3.06

    Polar Surface Area:
    105.10

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  16. ALA495592

    Name:
    N-Indan-1-yl-2-(1H-indol-3-yl)-2-oxo-acetamide

    Mol. Formula:
    C19H16N2O2

    M.W.:
    304.35

    Type:
    Small molecule

    AlogP:
    3.15

    Polar Surface Area:
    61.96

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  17. ALA247977

    Name:
    3-Methyl-1,5-dihydro-pyrazolo[4,3-c]quinolin-4-one

    Mol. Formula:
    C11H9N3O

    M.W.:
    199.21

    Type:
    Small molecule

    AlogP:
    1.71

    Polar Surface Area:
    61.54

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  18. ALA426118

    Name:
    N-((1H-imidazol-2-yl)methyl)-2-(5-nitro-1H-indol-3-yl)-2-oxoacetamide

    Mol. Formula:
    C14H11N5O4

    M.W.:
    313.27

    Type:
    Small molecule

    AlogP:
    1.30

    Polar Surface Area:
    133.78

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  19. ALA205529

    Name:
    N-((1H-imidazol-2-yl)methyl)-2-(1H-indol-3-yl)-2-oxoacetamide

    Mol. Formula:
    C14H12N4O2

    M.W.:
    268.28

    Type:
    Small molecule

    AlogP:
    1.39

    Polar Surface Area:
    90.64

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  20. ALA438784

    Name:
    2-(5-nitro-1H-indol-3-yl)-2-oxo-N-(thiophen-3-ylmethyl)acetamide

    Mol. Formula:
    C15H11N3O4S

    M.W.:
    329.34

    Type:
    Small molecule

    AlogP:
    2.64

    Polar Surface Area:
    105.10

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
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