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  1. ALA5271585

    Name:

    Mol. Formula:
    C26H26FN7O3S

    M.W.:
    535.61

    Type:
    ---

    AlogP:
    3.35

    Polar Surface Area:
    103.91

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  2. ALA5270202

    Name:

    Mol. Formula:
    C30H35FN8O4S

    M.W.:
    622.73

    Type:
    ---

    AlogP:
    3.36

    Polar Surface Area:
    105.52

    HBA:
    13

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  3. ALA5275142

    Name:

    Mol. Formula:
    C29H28FN7O5S

    M.W.:
    605.65

    Type:
    ---

    AlogP:
    4.25

    Polar Surface Area:
    124.78

    HBA:
    13

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  4. ALA5274532

    Name:

    Mol. Formula:
    C24H23FN6O4

    M.W.:
    478.48

    Type:
    ---

    AlogP:
    2.56

    Polar Surface Area:
    121.87

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  5. ALA5272852

    Name:

    Mol. Formula:
    C27H28FN7O4S

    M.W.:
    565.63

    Type:
    ---

    AlogP:
    3.36

    Polar Surface Area:
    113.14

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  6. ALA5285834

    Name:

    Mol. Formula:
    C27H28FN7O4S

    M.W.:
    565.63

    Type:
    ---

    AlogP:
    3.36

    Polar Surface Area:
    113.14

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  7. ALA5291388

    Name:

    Mol. Formula:
    C30H35FN8O4S

    M.W.:
    622.73

    Type:
    ---

    AlogP:
    3.36

    Polar Surface Area:
    105.52

    HBA:
    13

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  8. ALA5291239

    Name:

    Mol. Formula:
    C30H31FIN7O5S

    M.W.:
    747.59

    Type:
    ---

    AlogP:
    4.39

    Polar Surface Area:
    121.54

    HBA:
    12

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  9. ALA5291154

    Name:

    Mol. Formula:
    C19H20FN5O3S

    M.W.:
    417.47

    Type:
    ---

    AlogP:
    2.18

    Polar Surface Area:
    76.63

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  10. ALA5289540

    Name:
    4-(2-((7-chloroquinolin-4-yl)amino)ethyl)-1,1-bis(2-(((3R,5aS,6R,8aS,9R,10SShow More

    Mol. Formula:
    C49H72BrClN4O10

    M.W.:
    992.49

    Type:
    ---

    AlogP:
    7.88

    Polar Surface Area:
    120.46

    HBA:
    13

    HBD:
    1

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  11. ALA5265773

    Name:

    Mol. Formula:
    C29H33FN8O3S

    M.W.:
    592.70

    Type:
    ---

    AlogP:
    3.35

    Polar Surface Area:
    96.29

    HBA:
    12

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  12. ALA5204812

    Name:
    (2R,3S)-beta-Methyl-Cys8-Dideoxyamanitin

    Mol. Formula:
    C40H56N10O12S

    M.W.:
    901.01

    Type:
    ---

    AlogP:
    -4.25

    Polar Surface Area:
    343.58

    HBA:
    13

    HBD:
    12

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  13. ALA5203980

    Name:
    (2R,3R)-beta-Methyl-Cys8-Dideoxyamanitin

    Mol. Formula:
    C40H56N10O12S

    M.W.:
    901.01

    Type:
    ---

    AlogP:
    -4.25

    Polar Surface Area:
    343.58

    HBA:
    13

    HBD:
    12

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  14. ALA5202790

    Name:
    Diethylala6-Dideoxyamanitin

    Mol. Formula:
    C40H56N10O12S

    M.W.:
    901.01

    Type:
    ---

    AlogP:
    -4.25

    Polar Surface Area:
    343.58

    HBA:
    13

    HBD:
    12

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  15. ALA5201277

    Name:
    Cyclopentylgly6-Dideoxyamanitin

    Mol. Formula:
    C40H54N10O12S

    M.W.:
    899.00

    Type:
    ---

    AlogP:
    -4.50

    Polar Surface Area:
    343.58

    HBA:
    13

    HBD:
    12

    #RO5 Violations:
    3

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  16. ALA5200642

    Name:
    Diethylala6,(2R,3S)-beta-Methyl-Cys8-Dideoxyamanitin

    Mol. Formula:
    C41H58N10O12S

    M.W.:
    915.04

    Type:
    ---

    AlogP:
    -3.86

    Polar Surface Area:
    343.58

    HBA:
    13

    HBD:
    12

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  17. ALA5199884

    Name:
    5-OH Trp4,Diethylala6-Deoxyamanitin

    Mol. Formula:
    C40H56N10O13S

    M.W.:
    917.01

    Type:
    ---

    AlogP:
    -4.55

    Polar Surface Area:
    363.81

    HBA:
    14

    HBD:
    13

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  18. ALA5199827

    Name:
    Pen8-Dideoxyamanitin

    Mol. Formula:
    C41H58N10O12S

    M.W.:
    915.04

    Type:
    ---

    AlogP:
    -3.86

    Polar Surface Area:
    343.58

    HBA:
    13

    HBD:
    12

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  19. ALA5194629

    Name:
    5-OH Trp4,(2R,3S)-beta-Methyl-Cys8-Deoxyamanitin

    Mol. Formula:
    C40H56N10O13S

    M.W.:
    917.01

    Type:
    ---

    AlogP:
    -4.55

    Polar Surface Area:
    363.81

    HBA:
    14

    HBD:
    13

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  20. ALA5188766

    Name:
    Thia-lle6-Dideoxyamanitin

    Mol. Formula:
    C38H52N10O12S2

    M.W.:
    905.03

    Type:
    ---

    AlogP:
    -4.94

    Polar Surface Area:
    343.58

    HBA:
    14

    HBD:
    12

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
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