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  1. ALA5280413

    Name:
    Ferroptocide

    Mol. Formula:
    C30H36ClN3O7

    M.W.:
    586.09

    Type:
    ---

    AlogP:
    2.03

    Polar Surface Area:
    132.76

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  2. ALA5190386

    Name:
    (E)-1-(4-(3,3,3-trifluoro-1-(phenylsulfonyl)prop-1-en-1-yl)phenyl)ethan-1-oShow More

    Mol. Formula:
    C17H13F3O3S

    M.W.:
    354.35

    Type:
    ---

    AlogP:
    4.27

    Polar Surface Area:
    51.21

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  3. ALA5094482

    Name:

    Mol. Formula:
    C32H38ClN3O8

    M.W.:
    628.12

    Type:
    Unknown

    AlogP:
    2.61

    Polar Surface Area:
    138.83

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  4. ALA5094281

    Name:

    Mol. Formula:
    C30H36FN3O7

    M.W.:
    569.63

    Type:
    Unknown

    AlogP:
    1.77

    Polar Surface Area:
    132.76

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  5. ALA5094255

    Name:

    Mol. Formula:
    C46H57BF2IN7O8

    M.W.:
    1011.71

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA5092056

    Name:

    Mol. Formula:
    C32H38ClNO7

    M.W.:
    584.11

    Type:
    Unknown

    AlogP:
    3.81

    Polar Surface Area:
    121.21

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  7. ALA5090711

    Name:

    Mol. Formula:
    C31H37Cl2N3O7

    M.W.:
    634.56

    Type:
    Unknown

    AlogP:
    3.25

    Polar Surface Area:
    121.76

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  8. ALA5086879

    Name:

    Mol. Formula:
    C30H36IN3O7

    M.W.:
    677.54

    Type:
    Unknown

    AlogP:
    2.23

    Polar Surface Area:
    132.76

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  9. ALA5086227

    Name:

    Mol. Formula:
    C31H38ClN3O7

    M.W.:
    600.11

    Type:
    Unknown

    AlogP:
    2.69

    Polar Surface Area:
    121.76

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  10. ALA5083710

    Name:

    Mol. Formula:
    C34H39N3O8

    M.W.:
    617.70

    Type:
    Unknown

    AlogP:
    3.36

    Polar Surface Area:
    134.90

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  11. ALA5083529

    Name:

    Mol. Formula:
    C29H36ClNO7

    M.W.:
    546.06

    Type:
    Unknown

    AlogP:
    2.24

    Polar Surface Area:
    121.21

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  12. ALA5079094

    Name:

    Mol. Formula:
    C31H39N3O7

    M.W.:
    565.67

    Type:
    Unknown

    AlogP:
    2.47

    Polar Surface Area:
    121.76

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  13. ALA5078301

    Name:

    Mol. Formula:
    C46H57BClF2N7O8

    M.W.:
    920.26

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA5076207

    Name:

    Mol. Formula:
    C32H39N3O9

    M.W.:
    609.68

    Type:
    Unknown

    AlogP:
    1.36

    Polar Surface Area:
    159.06

    HBA:
    12

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  15. ALA5075911

    Name:

    Mol. Formula:
    C30H36ClN3O7

    M.W.:
    586.09

    Type:
    Unknown

    AlogP:
    2.03

    Polar Surface Area:
    132.76

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  16. ALA5073225

    Name:

    Mol. Formula:
    C22H31ClO5

    M.W.:
    410.94

    Type:
    Unknown

    AlogP:
    3.02

    Polar Surface Area:
    83.83

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
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