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  1. ALA4483426

    Name:
    Acrylic acid 2-acryloyloxy-5-[(1S,3S,9R,11R)-4,4,1
    Show More

    Mol. Formula:
    C44H54O8

    M.W.:
    710.91

    Type:
    Unknown

    AlogP:
    9.36

    Polar Surface Area:
    113.04

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  2. ALA4474915

    Name:
    5-Chloro-N4-(4-chlorophenyl)-N2-(1H-pyrazol-4-yl)p
    Show More

    Mol. Formula:
    C13H10Cl2N6

    M.W.:
    321.17

    Type:
    Unknown

    AlogP:
    3.99

    Polar Surface Area:
    78.52

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  3. ALA4522763

    Name:
    NA

    Mol. Formula:
    C44H62O8

    M.W.:
    718.97

    Type:
    Unknown

    AlogP:
    10.33

    Polar Surface Area:
    108.36

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  4. ALA4530933

    Name:
    6-Bromo-hexanoic acid 2-hydroxy-5-[(1S,3S,9R,11R)-
    Show More

    Mol. Formula:
    C44H59BrO7

    M.W.:
    779.85

    Type:
    Unknown

    AlogP:
    10.74

    Polar Surface Area:
    106.97

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  5. ALA4558234

    Name:
    (1S,3S,9R,11R)-7-(3,4-Bis-prop-2-ynyloxy-benzoyl)-
    Show More

    Mol. Formula:
    C44H54O6

    M.W.:
    678.91

    Type:
    Unknown

    AlogP:
    9.20

    Polar Surface Area:
    78.90

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  6. ALA4556095

    Name:
    (1S,3S,9R,11R)-7-(3,4-Bis-allyloxy-benzoyl)-4,4,10
    Show More

    Mol. Formula:
    C44H58O6

    M.W.:
    682.94

    Type:
    Unknown

    AlogP:
    10.31

    Polar Surface Area:
    78.90

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  7. ALA4567612

    Name:
    (1S,3S,9R,11R)-7-[3,4-Bis-(3-methyl-but-2-enyloxy)
    Show More

    Mol. Formula:
    C48H66O6

    M.W.:
    739.05

    Type:
    Unknown

    AlogP:
    11.87

    Polar Surface Area:
    78.90

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  8. ALA4530752

    Name:
    (1S,3S,9R,11R)-7-[4-(5-Bromo-pentyloxy)-3-hydroxy-
    Show More

    Mol. Formula:
    C43H59BrO6

    M.W.:
    751.84

    Type:
    Unknown

    AlogP:
    10.83

    Polar Surface Area:
    89.90

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  9. ALA4526517

    Name:
    (1S,3S,9R,11R)-7-(3,4-Bis-benzyloxy-benzoyl)-4,4,1
    Show More

    Mol. Formula:
    C52H62O6

    M.W.:
    783.06

    Type:
    Unknown

    AlogP:
    12.34

    Polar Surface Area:
    78.90

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  10. ALA4516962

    Name:
    NA

    Mol. Formula:
    C50H72O9

    M.W.:
    817.12

    Type:
    Unknown

    AlogP:
    12.11

    Polar Surface Area:
    114.43

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  11. ALA4516322

    Name:
    (1S,3S,9R,11R)-7-[3,4-Bis-(5-diethylamino-pentylox
    Show More

    Mol. Formula:
    C56H88N2O6

    M.W.:
    885.33

    Type:
    Unknown

    AlogP:
    12.96

    Polar Surface Area:
    85.38

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    26

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  12. ALA4515181

    Name:
    NA

    Mol. Formula:
    C42H56O9

    M.W.:
    704.90

    Type:
    Unknown

    AlogP:
    8.99

    Polar Surface Area:
    114.43

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  13. ALA4744459

    Name:
    7-O-(2-Bromoacetate)-fangchinoline

    Mol. Formula:
    C39H41BrN2O7

    M.W.:
    729.67

    Type:
    Unknown

    AlogP:
    7.45

    Polar Surface Area:
    78.93

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  14. ALA4743937

    Name:
    7-O-Cydopropyl-fangchinoline

    Mol. Formula:
    C41H44N2O7

    M.W.:
    676.81

    Type:
    Unknown

    AlogP:
    7.47

    Polar Surface Area:
    78.93

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  15. ALA4743848

    Name:
    7-O-(2,4-DichlorobenzoyI)-fangchinoline

    Mol. Formula:
    C44H42Cl2N2O7

    M.W.:
    781.73

    Type:
    Unknown

    AlogP:
    9.68

    Polar Surface Area:
    78.93

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  16. ALA4742091

    Name:
    1-((2R,4R,5R)-3,3-Difluoro-4-hydroxy-5-(hydroxymet
    Show More

    Mol. Formula:
    C10H12F2N2O6

    M.W.:
    294.21

    Type:
    Unknown

    AlogP:
    -1.60

    Polar Surface Area:
    113.78

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  17. ALA4741612

    Name:
    7-O-(4-Chlorobutanoate)-fangchinolin

    Mol. Formula:
    C41H45ClN2O7

    M.W.:
    713.27

    Type:
    Unknown

    AlogP:
    8.08

    Polar Surface Area:
    78.93

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  18. ALA4741272

    Name:
    7-O-(2,4,6-TrichlorobenzoyI)-fangchinoline

    Mol. Formula:
    C44H41Cl3N2O7

    M.W.:
    816.18

    Type:
    Unknown

    AlogP:
    10.33

    Polar Surface Area:
    78.93

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  19. ALA4765082

    Name:
    7-O-(3-Methylcrotonoyl)-fangchinoline

    Mol. Formula:
    C42H46N2O7

    M.W.:
    690.84

    Type:
    Unknown

    AlogP:
    8.03

    Polar Surface Area:
    78.93

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  20. ALA4764451

    Name:
    7-O-(3-Chloropropanoate)-fangchinoline

    Mol. Formula:
    C40H43ClN2O7

    M.W.:
    699.24

    Type:
    Unknown

    AlogP:
    7.69

    Polar Surface Area:
    78.93

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
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