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  1. ALA4764148

    Name:
    5-(benzo[b]thiophen-2-yl)-6-(3,4,5-trimethoxypheny
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    Mol. Formula:
    C21H20N2O3S

    M.W.:
    380.47

    Type:
    Unknown

    AlogP:
    4.22

    Polar Surface Area:
    52.41

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  2. ALA4793584

    Name:
    1-(Benzo[b]thiophen-2-yl)-2-(3,4,5-trimethoxypheny
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    Mol. Formula:
    C19H16O5S

    M.W.:
    356.40

    Type:
    Unknown

    AlogP:
    3.99

    Polar Surface Area:
    61.83

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  3. ALA5208408

    Name:
    (S)-N-((2R,3R,5S,6S)-6-((5-((3R,4R,5R,7R)-4-hydrox
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    Mol. Formula:
    C29H46N2O6

    M.W.:
    518.70

    Type:
    ---

    AlogP:
    3.20

    Polar Surface Area:
    109.42

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  4. ALA5206472

    Name:
    Methyl 2-((3R,5S,7R,8R)-8-hydroxy-7-((5-((2S,3S,5R
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    Mol. Formula:
    C31H48N2O8

    M.W.:
    576.73

    Type:
    ---

    AlogP:
    2.74

    Polar Surface Area:
    135.72

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  5. ALA5206108

    Name:
    (S)-5-(((2R,3R,5S,6S)-6-((5-((3R,4R,5R,7R)-7-(2-((
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    Mol. Formula:
    C33H52N2O9

    M.W.:
    620.78

    Type:
    ---

    AlogP:
    3.89

    Polar Surface Area:
    144.95

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  6. ALA5201280

    Name:
    (S)-5-(((2R,3R,5S,6S)-6-((5-((3R,4R,5R,7S)-4-hydro
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    Mol. Formula:
    C31H48N2O8

    M.W.:
    576.73

    Type:
    ---

    AlogP:
    3.64

    Polar Surface Area:
    119.09

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  7. ALA5200776

    Name:
    N-acetyl-calicheamicin

    Mol. Formula:
    C56H74IN3O22S4

    M.W.:
    1396.38

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA5200172

    Name:
    (S)-5-(((2R,3R,5S,6S)-6-((5-((3R,4S,5R,7S)-4-hydro
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    Mol. Formula:
    C27H42N2O7

    M.W.:
    506.64

    Type:
    ---

    AlogP:
    2.15

    Polar Surface Area:
    125.26

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  9. ALA5199708

    Name:
    (S)-5-(((2R,3R,5S,6S)-6-((5-((3R,4R,5R,7S)-7-(2-cy
    Show More

    Mol. Formula:
    C33H49NO9

    M.W.:
    603.75

    Type:
    ---

    AlogP:
    3.70

    Polar Surface Area:
    132.92

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  10. ALA5198941

    Name:
    3-(2-((3R,5S,7R,8R)-8-hydroxy-7-((5-((2S,3S,5R,6R)
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    Mol. Formula:
    C33H50N2O10

    M.W.:
    634.77

    Type:
    ---

    AlogP:
    2.59

    Polar Surface Area:
    173.02

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  11. ALA5198044

    Name:
    Tert-butyl 2-((3R,5S,7R,8R)-7-((5-((2S,3S,5R,6R)-5
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    Mol. Formula:
    C32H49NO9

    M.W.:
    591.74

    Type:
    ---

    AlogP:
    3.70

    Polar Surface Area:
    132.92

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  12. ALA5196008

    Name:
    (S)-5-(((2R,3R,5S,6S)-6-((5-((2R,3R,4S,6S)-6-(2-(t
    Show More

    Mol. Formula:
    C34H54ClNO9

    M.W.:
    656.26

    Type:
    ---

    AlogP:
    4.54

    Polar Surface Area:
    140.62

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  13. ALA5194640

    Name:
    (S)-5-(((2R,3R,5S,6S)-6-((5-((3R,4R,5R,7R)-7-(2-cy
    Show More

    Mol. Formula:
    C29H42N2O7

    M.W.:
    530.66

    Type:
    ---

    AlogP:
    3.28

    Polar Surface Area:
    130.41

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  14. ALA5193826

    Name:
    (S)-5-(((2R,3R,5S,6S)-6-((5-((3R,4R,5R,7S)-7-(2-(t
    Show More

    Mol. Formula:
    C34H53NO9

    M.W.:
    619.80

    Type:
    ---

    AlogP:
    4.34

    Polar Surface Area:
    132.92

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  15. ALA5193399

    Name:
    (S)-5-(((2R,3R,5S,6S)-6-((5-((3R,4R,5R,7S)-7-metho
    Show More

    Mol. Formula:
    C29H44N2O9

    M.W.:
    564.68

    Type:
    ---

    AlogP:
    2.94

    Polar Surface Area:
    133.95

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  16. ALA5192239

    Name:
    (S)-5-(((2R,3R,5S,6S)-6-((5-((3R,4R,5R,7R)-4-hydro
    Show More

    Mol. Formula:
    C28H43NO8

    M.W.:
    521.65

    Type:
    ---

    AlogP:
    2.35

    Polar Surface Area:
    126.85

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  17. ALA5192042

    Name:
    (S)-5-(((2R,3R,5S,6S)-6-((5-((3R,4R,5R,7R)-4-hydro
    Show More

    Mol. Formula:
    C27H41NO7

    M.W.:
    491.63

    Type:
    ---

    AlogP:
    2.99

    Polar Surface Area:
    106.62

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  18. ALA5191718

    Name:
    N-((S)-5-(((2R,3R,5S,6S)-6-((5-((3R,4R,5R,7R)-4-hy
    Show More

    Mol. Formula:
    C31H49N3O6

    M.W.:
    559.75

    Type:
    ---

    AlogP:
    3.62

    Polar Surface Area:
    112.66

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  19. ALA5189338

    Name:
    (S)-4-(3,3-dimethylureido)-N-((2R,3R,5S,6S)-6-((5-
    Show More

    Mol. Formula:
    C28H45N3O6

    M.W.:
    519.68

    Type:
    ---

    AlogP:
    2.70

    Polar Surface Area:
    112.66

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  20. ALA5186863

    Name:
    (S)-5-(((2R,3R,5S,6S)-6-((5-((3R,4R,5R,7R)-4-hydro
    Show More

    Mol. Formula:
    C30H47NO8

    M.W.:
    549.71

    Type:
    ---

    AlogP:
    3.13

    Polar Surface Area:
    126.85

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
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