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Items 1-20 of 1,846

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  1. ALA4514473

    Name:
    (S)-1-(4-(1H-pyrazol-1-yl)benzyl)-6-fluoro-4-oxo-7
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    Mol. Formula:
    C25H24FN5O3

    M.W.:
    461.50

    Type:
    Unknown

    AlogP:
    3.09

    Polar Surface Area:
    101.18

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  2. ALA4483636

    Name:
    N-(3-(1H-Imidazol-1-yl)propyl)-6-(4-methoxyphenyl)
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    Mol. Formula:
    C25H24N6O2

    M.W.:
    440.51

    Type:
    Unknown

    AlogP:
    4.97

    Polar Surface Area:
    90.89

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  3. ALA4476036

    Name:
    5,5-difluoro-1,9-dimethyl-10-(4-(3-(1-methylpyridi
    Show More

    Mol. Formula:
    C60H63BF2I3N5O3

    M.W.:
    1331.72

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA4475664

    Name:
    4-(4-(3-(1H-Imidazol-1-yl)propylamino)-3-(1,3,4-ox
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    Mol. Formula:
    C24H19N7O

    M.W.:
    421.46

    Type:
    Unknown

    AlogP:
    4.52

    Polar Surface Area:
    105.45

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  5. ALA4475343

    Name:
    (R)-1-([1,1'-biphenyl]-4-ylmethyl)-7-(3-carbamoylp
    Show More

    Mol. Formula:
    C29H26FN3O5

    M.W.:
    515.54

    Type:
    Unknown

    AlogP:
    3.87

    Polar Surface Area:
    114.86

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  6. ALA4474303

    Name:
    1-([1,1'-biphenyl]-4-ylmethyl)-7-((2-aminoethyl)am
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    Mol. Formula:
    C25H22FN3O3

    M.W.:
    431.47

    Type:
    Unknown

    AlogP:
    3.92

    Polar Surface Area:
    97.35

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  7. ALA4534576

    Name:
    N-(2-(1H-Imidazol-1-yl)ethyl)-6-(4-methoxyphenyl)-
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    Mol. Formula:
    C23H20N6O2

    M.W.:
    412.45

    Type:
    Unknown

    AlogP:
    4.27

    Polar Surface Area:
    90.89

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  8. ALA4531413

    Name:
    N-(3-(1H-Imidazol-1-yl)propyl)-6-(4-methoxy-3-meth
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    Mol. Formula:
    C25H24N6O2

    M.W.:
    440.51

    Type:
    Unknown

    AlogP:
    4.97

    Polar Surface Area:
    90.89

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  9. ALA4531237

    Name:
    6-(4-Methoxyphenyl)-N-methyl-3-(1,3,4-oxadiazol-2-
    Show More

    Mol. Formula:
    C19H16N4O2

    M.W.:
    332.36

    Type:
    Unknown

    AlogP:
    4.00

    Polar Surface Area:
    73.07

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  10. ALA4530821

    Name:
    (R)-1-([1,1'-biphenyl]-4-ylmethyl)-7-(3-aminopyrro
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    Mol. Formula:
    C27H24FN3O3

    M.W.:
    457.51

    Type:
    Unknown

    AlogP:
    4.09

    Polar Surface Area:
    88.56

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  11. ALA4558879

    Name:
    2-(1,3-dihydroxypropan-2-ylamino)-7,10-dihydroxy-8
    Show More

    Mol. Formula:
    C29H28N4O11

    M.W.:
    608.56

    Type:
    Unknown

    AlogP:
    -0.73

    Polar Surface Area:
    241.20

    HBA:
    13

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  12. ALA4558621

    Name:
    6-(3,4-Dimethoxyphenyl)-N-(2-morpholinoethyl)-3-(1
    Show More

    Mol. Formula:
    C25H27N5O4

    M.W.:
    461.52

    Type:
    Unknown

    AlogP:
    3.71

    Polar Surface Area:
    94.77

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  13. ALA4551923

    Name:
    (S)-7-(3-(aminomethyl)pyrrolidin-1-yl)-6-fluoro-4-
    Show More

    Mol. Formula:
    C23H21FN6O4

    M.W.:
    464.46

    Type:
    Unknown

    AlogP:
    2.12

    Polar Surface Area:
    140.37

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  14. ALA4570163

    Name:
    1-((3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl)((
    Show More

    Mol. Formula:
    C34H25ClN4O2S

    M.W.:
    589.12

    Type:
    Unknown

    AlogP:
    8.87

    Polar Surface Area:
    72.20

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  15. ALA4570069

    Name:
    2,3-Dimethoxy-12-(2-(methylamino)ethyl)-[1,3]dioxo
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    Mol. Formula:
    C23H22N2O5

    M.W.:
    406.44

    Type:
    Unknown

    AlogP:
    3.27

    Polar Surface Area:
    70.95

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  16. ALA4570067

    Name:
    6-(3,4-Dimethoxyphenyl)-N-(3-morpholinopropyl)-3-(
    Show More

    Mol. Formula:
    C26H29N5O4

    M.W.:
    475.55

    Type:
    Unknown

    AlogP:
    4.10

    Polar Surface Area:
    94.77

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  17. ALA4530742

    Name:
    (R)-1-([1,1'-biphenyl]-4-ylmethyl)-6-fluoro-7-(3-(
    Show More

    Mol. Formula:
    C29H27FN2O5

    M.W.:
    502.54

    Type:
    Unknown

    AlogP:
    4.38

    Polar Surface Area:
    92.00

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  18. ALA4526574

    Name:
    1-([1,1'-biphenyl]-4-ylmethyl)-6-fluoro-7-((3-(met
    Show More

    Mol. Formula:
    C27H26FN3O3

    M.W.:
    459.52

    Type:
    Unknown

    AlogP:
    4.58

    Polar Surface Area:
    83.36

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  19. ALA4525971

    Name:
    (S)-1-(4-(1H-pyrazol-1-yl)benzyl)-7-(3-(aminomethy
    Show More

    Mol. Formula:
    C26H26FN5O4

    M.W.:
    491.52

    Type:
    Unknown

    AlogP:
    2.87

    Polar Surface Area:
    115.61

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  20. ALA4519022

    Name:
    N-(3-(1H-Imidazol-1-yl)propyl)-6-(4-methoxy-2-meth
    Show More

    Mol. Formula:
    C25H24N6O2

    M.W.:
    440.51

    Type:
    Unknown

    AlogP:
    4.97

    Polar Surface Area:
    90.89

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
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