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  1. ALA4475769

    Name:
    2-Fluoro-3-O-descladinosyl-3-oxo-6-O-[3-(3'-carbam
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    Mol. Formula:
    C46H65FN4O13

    M.W.:
    901.04

    Type:
    Unknown

    AlogP:
    4.95

    Polar Surface Area:
    216.74

    HBA:
    16

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  2. ALA4475140

    Name:
    3-O-Descladinosyl-3-O-[3'-(3''-amino-pyrid-5''-yl)
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    Mol. Formula:
    C42H64N4O11

    M.W.:
    800.99

    Type:
    Unknown

    AlogP:
    4.74

    Polar Surface Area:
    182.72

    HBA:
    15

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  3. ALA4474918

    Name:
    3-O-Descladinosyl-3-O-[N-(3'-(3''-pyridyl)propyl)c
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    Mol. Formula:
    C41H66N4O12

    M.W.:
    806.99

    Type:
    Unknown

    AlogP:
    4.89

    Polar Surface Area:
    185.80

    HBA:
    15

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  4. ALA4474631

    Name:
    2-Fluoro-3-O-descladinosyl-3-oxo-6-O-methylerythro
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    Mol. Formula:
    C43H61FN4O11

    M.W.:
    828.98

    Type:
    Unknown

    AlogP:
    5.64

    Polar Surface Area:
    190.56

    HBA:
    15

    HBD:
    2

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  5. ALA4540735

    Name:
    3-O-Descladinosyl-3-O-[3'-allylamino-propionyl]-6-
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    Mol. Formula:
    C38H65N3O12

    M.W.:
    755.95

    Type:
    Unknown

    AlogP:
    3.85

    Polar Surface Area:
    172.91

    HBA:
    15

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  6. ALA4539620

    Name:
    (R)-4-((1S,2S,4S,5Z/E)-5-Ethylidene-1-azabicyclo[2
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    Mol. Formula:
    C22H28N2O3

    M.W.:
    368.48

    Type:
    Unknown

    AlogP:
    3.07

    Polar Surface Area:
    65.82

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  7. ALA4537454

    Name:
    (S)-4-[((1S,2S,4S,5R)-5-Ethyl-1-azabicyclo[2.2.2]o
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    Mol. Formula:
    C20H25FN2O

    M.W.:
    328.43

    Type:
    Unknown

    AlogP:
    4.37

    Polar Surface Area:
    25.36

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  8. ALA4537160

    Name:
    2-Fluoro-3-O-descladinosyl-3-oxo-6-O-methylerythro
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    Mol. Formula:
    C40H58FN3O13

    M.W.:
    807.91

    Type:
    Unknown

    AlogP:
    4.61

    Polar Surface Area:
    201.84

    HBA:
    15

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  9. ALA4537107

    Name:
    2-Fluoro-3-O-descladinosyl-3-oxo-6-O-methylerythro
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    Mol. Formula:
    C46H63FN4O13

    M.W.:
    899.02

    Type:
    Unknown

    AlogP:
    4.29

    Polar Surface Area:
    216.74

    HBA:
    16

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  10. ALA4521597

    Name:
    (1R,2R,4R,6R,7R,8R,10S,13R,14S)-7-[(2S,3R,4S,6R)-4
    Show More

    Mol. Formula:
    C41H62FN5O10S

    M.W.:
    836.04

    Type:
    Unknown

    AlogP:
    5.08

    Polar Surface Area:
    171.85

    HBA:
    15

    HBD:
    1

    #RO5 Violations:
    3

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  11. ALA4521180

    Name:
    1-(1-(1-(Phenylsulfonyl)-1H-indol-3-yl)propylidene
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    Mol. Formula:
    C18H18N4O3S

    M.W.:
    370.43

    Type:
    Unknown

    AlogP:
    2.66

    Polar Surface Area:
    106.55

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  12. ALA4535756

    Name:
    6-Alloxy-(R)-4-[((1S,2S,4S,5R)-5-ethyl-1-azabicycl
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    Mol. Formula:
    C22H28N2O2

    M.W.:
    352.48

    Type:
    Unknown

    AlogP:
    3.95

    Polar Surface Area:
    45.59

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  13. ALA4535186

    Name:
    2-Fluoro-3-O-descladinosyl-3-oxo-6-O-methylerythro
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    Mol. Formula:
    C44H60FN3O14

    M.W.:
    873.97

    Type:
    Unknown

    AlogP:
    5.05

    Polar Surface Area:
    221.81

    HBA:
    15

    HBD:
    3

    #RO5 Violations:
    3

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  14. ALA4534916

    Name:
    1-(1-(5-Bromo-1-(phenylsulfonyl)-1H-indol-3-yl)eth
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    Mol. Formula:
    C17H15BrN4O2S2

    M.W.:
    451.37

    Type:
    Unknown

    AlogP:
    3.20

    Polar Surface Area:
    89.48

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  15. ALA4534286

    Name:
    3-O-Descladinosyl-3-O-[3'-(2''-amino-pyrid-3''-yl)
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    Mol. Formula:
    C42H64N4O11

    M.W.:
    800.99

    Type:
    Unknown

    AlogP:
    4.74

    Polar Surface Area:
    182.72

    HBA:
    15

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  16. ALA4531813

    Name:
    3-O-Descladinosyl-3-O-[3'-(3''-(3'''-pyridyl)propa
    Show More

    Mol. Formula:
    C43H66N4O12

    M.W.:
    831.02

    Type:
    Unknown

    AlogP:
    4.11

    Polar Surface Area:
    185.80

    HBA:
    16

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  17. ALA4561043

    Name:
    3-O-Descladinosyl-3-O-[3'-(3''-(1''',2''',3''',4''
    Show More

    Mol. Formula:
    C47H76N4O12

    M.W.:
    889.14

    Type:
    Unknown

    AlogP:
    5.65

    Polar Surface Area:
    184.94

    HBA:
    16

    HBD:
    3

    #RO5 Violations:
    3

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  18. ALA4561002

    Name:
    (R)-4-((1S,2S,4S,5R)-5-Ethyl-1-azabicyclo[2.2.2]oc
    Show More

    Mol. Formula:
    C22H30N2O2

    M.W.:
    354.49

    Type:
    Unknown

    AlogP:
    4.18

    Polar Surface Area:
    45.59

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  19. ALA4560820

    Name:
    2-Fluoro-3-O-descladinosyl-3-oxo-6-O-[3-(3'-carbox
    Show More

    Mol. Formula:
    C44H60FN3O13

    M.W.:
    857.97

    Type:
    Unknown

    AlogP:
    5.76

    Polar Surface Area:
    201.84

    HBA:
    15

    HBD:
    2

    #RO5 Violations:
    3

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  20. ALA4557944

    Name:
    2-Fluoro-3-O-descladinosyl-3-oxo-6-O-methylerythro
    Show More

    Mol. Formula:
    C48H65FN4O13

    M.W.:
    925.06

    Type:
    Unknown

    AlogP:
    4.86

    Polar Surface Area:
    202.75

    HBA:
    16

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
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