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  1. ALA4096405

    Name:
    2-(4-Chlorophenyl)-1-((4aS,8S,8aR)-8-((S)-3-hydrox
    Show More

    Mol. Formula:
    C24H31ClN4O5S

    M.W.:
    523.06

    Type:
    Small molecule

    AlogP:
    1.90

    Polar Surface Area:
    107.19

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  2. ALA4095192

    Name:
    (4aR,5S,8aS)-Methyl 4-(2-(3,4-Dichlorophenyl)acety
    Show More

    Mol. Formula:
    C22H29Cl2N3O4

    M.W.:
    470.40

    Type:
    Small molecule

    AlogP:
    2.80

    Polar Surface Area:
    73.32

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  3. ALA4102093

    Name:
    (2R,6R,11R)-3-(2-Methoxy-2-phenylethyl)-6,11-dimet
    Show More

    Mol. Formula:
    C23H29NO2

    M.W.:
    351.49

    Type:
    Small molecule

    AlogP:
    4.30

    Polar Surface Area:
    32.70

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  4. ALA4092100

    Name:
    (4aR,5S,8aS)-Methyl 4-(2-(3-Chlorophenyl)acetyl)-5
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    Mol. Formula:
    C22H30ClN3O4

    M.W.:
    435.95

    Type:
    Small molecule

    AlogP:
    2.15

    Polar Surface Area:
    73.32

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  5. ALA4091184

    Name:
    (4aR,5S,8aS)-Methyl 4-(2-(4-Chlorophenyl)acetyl)-5
    Show More

    Mol. Formula:
    C22H30ClN3O4

    M.W.:
    435.95

    Type:
    Small molecule

    AlogP:
    2.15

    Polar Surface Area:
    73.32

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  6. ALA4072972

    Name:
    Methyl 2-((4aR,5S,8aS)-4-(2-(3,4-Dichlorophenyl)ac
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    Mol. Formula:
    C23H31Cl2N3O3

    M.W.:
    468.43

    Type:
    Small molecule

    AlogP:
    3.24

    Polar Surface Area:
    53.09

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  7. ALA4061582

    Name:
    (4aR,5S,8aS)-Methyl 4-(2-(3-Chloro-4-fluorophenyl)
    Show More

    Mol. Formula:
    C22H29ClFN3O4

    M.W.:
    453.94

    Type:
    Small molecule

    AlogP:
    2.29

    Polar Surface Area:
    73.32

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  8. ALA4083401

    Name:
    (4aR,5S,8aS)-Methyl 4-(2-(4-Chloro-3-fluorophenyl)
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    Mol. Formula:
    C22H29ClFN3O4

    M.W.:
    453.94

    Type:
    Small molecule

    AlogP:
    2.29

    Polar Surface Area:
    73.32

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  9. ALA4077833

    Name:
    (2R,6R,11R)-3-(2-Hydroxy-2-phenylpropyl)-6,11-dime
    Show More

    Mol. Formula:
    C23H29NO2

    M.W.:
    351.49

    Type:
    Small molecule

    AlogP:
    3.82

    Polar Surface Area:
    43.70

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  10. ALA4069231

    Name:
    2-(3,4-Dichlorophenyl)-1-((4aS,8S,8aS)-8-(pyrrolid
    Show More

    Mol. Formula:
    C20H27Cl2N3O

    M.W.:
    396.36

    Type:
    Small molecule

    AlogP:
    3.35

    Polar Surface Area:
    35.58

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  11. ALA4069149

    Name:
    2-(4-Chloro-3-fluorophenyl)-1-((4aS,8S,8aR)-8-((S)
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    Mol. Formula:
    C24H30ClFN4O5S

    M.W.:
    541.05

    Type:
    Small molecule

    AlogP:
    2.04

    Polar Surface Area:
    107.19

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  12. ALA4064380

    Name:
    (4aR,5S,8aS)-Methyl 4-(2-(3-Chloro-4-(trifluoromet
    Show More

    Mol. Formula:
    C23H29ClF3N3O4

    M.W.:
    503.95

    Type:
    Small molecule

    AlogP:
    3.17

    Polar Surface Area:
    73.32

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  13. ALA3981656

    Name:
    3-endo-(8-{2-[(4-fluorobenzyl)-(2-methanesulfonyla
    Show More

    Mol. Formula:
    C28H33F4N3O6S

    M.W.:
    615.65

    Type:
    Small molecule

    AlogP:
    2.71

    Polar Surface Area:
    100.78

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  14. ALA3979596

    Name:
    3-endo-(8-{2-[[2-(3-fluorophenyl)ethyl]-(2-hydroxy
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    Mol. Formula:
    C28H33F4N3O5

    M.W.:
    567.58

    Type:
    Small molecule

    AlogP:
    2.70

    Polar Surface Area:
    86.87

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  15. ALA3979255

    Name:
    3-endo-(8-{2-[(2-methanesulfonylacetyl)-(4-trifluo
    Show More

    Mol. Formula:
    C29H33F6N3O6S

    M.W.:
    665.65

    Type:
    Small molecule

    AlogP:
    3.59

    Polar Surface Area:
    100.78

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  16. ALA3822822

    Name:
    (S)-6-amino-2-((S)-2-((R)-2-((S)-2-amino-3-(2,6-di
    Show More

    Mol. Formula:
    C34H53N9O5

    M.W.:
    667.86

    Type:
    Protein

    AlogP:
    -0.04

    Polar Surface Area:
    264.56

    HBA:
    8

    HBD:
    10

    #RO5 Violations:
    2

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  17. ALA3822702

    Name:
    (S)-6-amino-2-((S)-2-((R)-2-((S)-2-amino-3-(4-hydr
    Show More

    Mol. Formula:
    C34H53N9O5

    M.W.:
    667.86

    Type:
    Protein

    AlogP:
    0.27

    Polar Surface Area:
    264.56

    HBA:
    8

    HBD:
    10

    #RO5 Violations:
    2

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  18. ALA3822676

    Name:
    (S)-6-amino-2-((S)-2-((R)-2-((S)-2-amino-3-(2-ethy
    Show More

    Mol. Formula:
    C33H51N9O5

    M.W.:
    653.83

    Type:
    Protein

    AlogP:
    -0.29

    Polar Surface Area:
    264.56

    HBA:
    8

    HBD:
    10

    #RO5 Violations:
    2

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  19. ALA3823054

    Name:
    (S)-6-amino-2-((S)-2-((R)-2-((S)-2-amino-3-(4-hydr
    Show More

    Mol. Formula:
    C33H51N9O5

    M.W.:
    653.83

    Type:
    Protein

    AlogP:
    -0.24

    Polar Surface Area:
    264.56

    HBA:
    8

    HBD:
    10

    #RO5 Violations:
    2

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  20. ALA5208146

    Name:
    rac-2-(3,4-dichlorophenyl)-1-((1S,5R,8R)-8-(pyrrol
    Show More

    Mol. Formula:
    C20H26Cl2N2O

    M.W.:
    381.35

    Type:
    ---

    AlogP:
    4.40

    Polar Surface Area:
    23.55

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
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