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  1. ALA3215735

    Name:
    4-{2-[2-(4-Chloro-phenyl)-ethyl]-2-imidazol-1-ylme
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    Mol. Formula:
    C22H27Cl4N3O2S

    M.W.:
    539.36

    Type:
    Small molecule

    AlogP:
    4.66

    Polar Surface Area:
    62.30

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  2. ALA3138537

    Name:
    (3beta,5alpha,25R)-3-[(beta-D-Cellobiosyl)bis-1-mo
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    Mol. Formula:
    C49H76N2O18

    M.W.:
    981.14

    Type:
    Small molecule

    AlogP:
    1.57

    Polar Surface Area:
    251.14

    HBA:
    18

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  3. ALA3138536

    Name:
    (3beta,5alpha,25R)-3-[(beta-D-Cellobiosyl) bis(2-c
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    Mol. Formula:
    C53H70Cl2N2O16

    M.W.:
    1062.05

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA3138423

    Name:
    (3beta,5alpha,25R)-3-[(beta-D-Cellobiosyl)hydroxy]
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    Mol. Formula:
    C39H62O12

    M.W.:
    722.91

    Type:
    Small molecule

    AlogP:
    2.68

    Polar Surface Area:
    173.60

    HBA:
    12

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  5. ALA3138344

    Name:
    (3beta,5alpha,25R)-3-[(beta-D-maltotriosyl)oxy]spi
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    Mol. Formula:
    C51H84O20

    M.W.:
    1017.21

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA3138249

    Name:
    2-Azetidone Cholestrol analogue

    Mol. Formula:
    C39H62O13

    M.W.:
    738.91

    Type:
    Small molecule

    AlogP:
    0.89

    Polar Surface Area:
    204.83

    HBA:
    13

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  7. ALA3138212

    Name:
    (3beta,5alpha,25R)-3-[(beta-D-Cellobiosyl)chloro]s
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    Mol. Formula:
    C39H60I2O12

    M.W.:
    974.71

    Type:
    Small molecule

    AlogP:
    3.51

    Polar Surface Area:
    173.60

    HBA:
    12

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  8. ALA3137902

    Name:
    (3S,4S,5S,10R,13R,17R)-17-((R)-1,5-Dimethyl-hexyl)
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    Mol. Formula:
    C34H53FO

    M.W.:
    496.80

    Type:
    Small molecule

    AlogP:
    9.08

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  9. ALA3137877

    Name:
    (4S,5S,10R,13R,17R)-4-Benzyl-17-((R)-1,5-dimethyl-
    Show More

    Mol. Formula:
    C34H52O

    M.W.:
    476.79

    Type:
    Small molecule

    AlogP:
    9.15

    Polar Surface Area:
    17.07

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  10. ALA3137858

    Name:
    (3beta,5alpha,25R)-3-[(beta-D-Glucosyl)oxy]spirost
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    Mol. Formula:
    C33H52O9

    M.W.:
    592.77

    Type:
    Small molecule

    AlogP:
    2.80

    Polar Surface Area:
    134.91

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  11. ALA3137849

    Name:
    (3beta,5alpha,25R)-3-[(beta-D-Cellobiosyl)ethoxyme
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    Mol. Formula:
    C39H60F2O12

    M.W.:
    758.89

    Type:
    Small molecule

    AlogP:
    2.58

    Polar Surface Area:
    173.60

    HBA:
    12

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  12. ALA3137847

    Name:
    (3beta,5alpha,25R)-3-[(beta-D-Cellobiosyl)fluoro]s
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    Mol. Formula:
    C39H60Cl2O12

    M.W.:
    791.80

    Type:
    Small molecule

    AlogP:
    3.11

    Polar Surface Area:
    173.60

    HBA:
    12

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  13. ALA3085198

    Name:
    (3beta,5alpha,25R)-3-[(beta-D-Cellobiosyl)(2-methy
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    Mol. Formula:
    C47H69NO15

    M.W.:
    888.06

    Type:
    Small molecule

    AlogP:
    3.19

    Polar Surface Area:
    232.16

    HBA:
    15

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  14. ALA3085197

    Name:
    (3beta,5alpha,25R)-3-[(beta-D-Cellobiosyl) bis-(2,
    Show More

    Mol. Formula:
    C53H68Cl4N2O16

    M.W.:
    1130.94

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA3085196

    Name:
    (3beta,5alpha,25R)-3-[(beta-D-Cellobiosyl) bis-(2,
    Show More

    Mol. Formula:
    C53H68F4N2O16

    M.W.:
    1065.12

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA3085195

    Name:
    6-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,7'S,9'S
    Show More

    Mol. Formula:
    C53H70F2N2O16

    M.W.:
    1029.14

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  17. ALA3085194

    Name:
    (3beta,5alpha,25R)-3-[(beta-D-Cellobiosyl)iodo]spi
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    Mol. Formula:
    C53H72N2O16

    M.W.:
    993.16

    Type:
    Small molecule

    AlogP:
    5.13

    Polar Surface Area:
    250.26

    HBA:
    16

    HBD:
    7

    #RO5 Violations:
    4

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  18. ALA3085193

    Name:
    (3beta,5alpha,25R)-3-[(beta-D-Cellobiosyl)(2,4-dif
    Show More

    Mol. Formula:
    C46H65F2NO15

    M.W.:
    910.01

    Type:
    Small molecule

    AlogP:
    3.16

    Polar Surface Area:
    232.16

    HBA:
    15

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  19. ALA3085192

    Name:
    cellobiosyl sarsasapogenin

    Mol. Formula:
    C39H64O13

    M.W.:
    740.93

    Type:
    Small molecule

    AlogP:
    1.44

    Polar Surface Area:
    196.99

    HBA:
    13

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  20. ALA3085190

    Name:
    2-[6-((3S,5S,8S,9S,10S,13S,14S)-10,13-Dimethyl-hex
    Show More

    Mol. Formula:
    C31H52O11

    M.W.:
    600.75

    Type:
    Small molecule

    AlogP:
    0.43

    Polar Surface Area:
    178.53

    HBA:
    11

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
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