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Items 1-20 of 247

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  1. ALA4280144

    Name:
    (2S)-N-((2S)-1-(2-(1H-benzo[d]imidazol-2-yl)pyrrol
    Show More

    Mol. Formula:
    C19H28N6O2

    M.W.:
    372.47

    Type:
    Small molecule

    AlogP:
    0.67

    Polar Surface Area:
    116.14

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  2. ALA4277819

    Name:
    4-((S)-3-((S)-2-((S)-1-amino-1-oxo-3-phenylpropan-
    Show More

    Mol. Formula:
    C28H35FN6O7S

    M.W.:
    618.69

    Type:
    Small molecule

    AlogP:
    -0.63

    Polar Surface Area:
    196.87

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  3. ALA4276740

    Name:
    4-((S)-3-((S)-2-(6-(3-fluorobenzyl)pyrazin-2-yl)py
    Show More

    Mol. Formula:
    C29H32F2N6O5S

    M.W.:
    614.68

    Type:
    Small molecule

    AlogP:
    2.05

    Polar Surface Area:
    150.46

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  4. ALA4276715

    Name:
    (R)-1-((S)-4-amino-2-((S)-2-(methylamino)propanami
    Show More

    Mol. Formula:
    C22H32FN5O3

    M.W.:
    433.53

    Type:
    Small molecule

    AlogP:
    0.36

    Polar Surface Area:
    116.56

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  5. ALA3974300

    Name:
    US9481673, (S)-15

    Mol. Formula:
    C34H28ClN7O2

    M.W.:
    602.10

    Type:
    Small molecule

    AlogP:
    5.92

    Polar Surface Area:
    106.33

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  6. ALA3973040

    Name:
    US9481673, (S)-5

    Mol. Formula:
    C35H31N7O

    M.W.:
    565.68

    Type:
    Small molecule

    AlogP:
    5.88

    Polar Surface Area:
    97.10

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  7. ALA4291896

    Name:
    3-((S)-3-((S)-2-((S)-1-amino-1-oxo-3-phenylpropan-
    Show More

    Mol. Formula:
    C28H35FN6O7S

    M.W.:
    618.69

    Type:
    Small molecule

    AlogP:
    -0.63

    Polar Surface Area:
    196.87

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  8. ALA4291444

    Name:
    4-((S)-3-((S)-2-(2,3-dihydro-1H-inden-2-ylcarbamoy
    Show More

    Mol. Formula:
    C27H34N4O6S

    M.W.:
    542.66

    Type:
    Small molecule

    AlogP:
    0.84

    Polar Surface Area:
    144.91

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  9. ALA3981054

    Name:
    US9481673, (S)-3

    Mol. Formula:
    C33H30N8O

    M.W.:
    554.66

    Type:
    Small molecule

    AlogP:
    4.91

    Polar Surface Area:
    102.03

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  10. ALA3700108

    Name:
    US9018214, 265

    Mol. Formula:
    C23H29FN4O

    M.W.:
    396.51

    Type:
    Small molecule

    AlogP:
    2.73

    Polar Surface Area:
    48.47

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  11. ALA3700105

    Name:
    US9018214, 255

    Mol. Formula:
    C26H41F2N5O2

    M.W.:
    493.64

    Type:
    Small molecule

    AlogP:
    2.98

    Polar Surface Area:
    60.94

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  12. ALA3700094

    Name:
    US9018214, 235

    Mol. Formula:
    C26H41F2N5O2

    M.W.:
    493.64

    Type:
    Small molecule

    AlogP:
    2.84

    Polar Surface Area:
    60.94

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  13. ALA3700089

    Name:
    US9018214, 226

    Mol. Formula:
    C26H37F2N5O2

    M.W.:
    489.61

    Type:
    Small molecule

    AlogP:
    2.88

    Polar Surface Area:
    68.78

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  14. ALA3700085

    Name:
    US9018214, 220

    Mol. Formula:
    C28H37F2N5O

    M.W.:
    497.63

    Type:
    Small molecule

    AlogP:
    3.33

    Polar Surface Area:
    51.71

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  15. ALA3700081

    Name:
    US9018214, 214

    Mol. Formula:
    C24H36F3N5O

    M.W.:
    467.58

    Type:
    Small molecule

    AlogP:
    2.91

    Polar Surface Area:
    51.71

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  16. ALA3700080

    Name:
    US9018214, 212

    Mol. Formula:
    C25H35F2N5O2

    M.W.:
    475.58

    Type:
    Small molecule

    AlogP:
    2.49

    Polar Surface Area:
    68.78

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  17. ALA3700079

    Name:
    US9018214, 211

    Mol. Formula:
    C25H37F2N5O2

    M.W.:
    477.60

    Type:
    Small molecule

    AlogP:
    2.74

    Polar Surface Area:
    68.78

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  18. ALA3700067

    Name:
    US9018214, 198

    Mol. Formula:
    C24H35F2N5O2

    M.W.:
    463.57

    Type:
    Small molecule

    AlogP:
    2.49

    Polar Surface Area:
    68.78

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  19. ALA3700060

    Name:
    US9018214, 189

    Mol. Formula:
    C26H32ClN5O4

    M.W.:
    514.03

    Type:
    Small molecule

    AlogP:
    3.27

    Polar Surface Area:
    87.24

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  20. ALA3700057

    Name:
    US9018214, 186

    Mol. Formula:
    C25H39F2N5O2

    M.W.:
    479.62

    Type:
    Small molecule

    AlogP:
    2.59

    Polar Surface Area:
    60.94

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
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