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  1. ALA1604348

    Name:
    SID24708089

    Mol. Formula:
    C28H49N5O7

    M.W.:
    567.73

    Type:
    Small molecule

    AlogP:
    4.02

    Polar Surface Area:
    136.33

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  2. ALA1603426

    Name:
    SID49645902

    Cas Number:
    637753-28-7

    Mol. Formula:
    C25H29NO5

    M.W.:
    423.51

    Type:
    Small molecule

    AlogP:
    4.72

    Polar Surface Area:
    72.14

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  3. ALA1601373

    Name:
    SID7976080

    Mol. Formula:
    C14H13Cl2NO4S

    M.W.:
    362.23

    Type:
    Small molecule

    AlogP:
    3.81

    Polar Surface Area:
    64.63

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  4. ALA1598979

    Name:
    SID47202245

    Mol. Formula:
    C12H10FN3O3

    M.W.:
    263.23

    Type:
    Small molecule

    AlogP:
    0.83

    Polar Surface Area:
    78.51

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  5. ALA1598683

    Name:
    SID49727400

    Mol. Formula:
    C13H16N2O2S2

    M.W.:
    296.42

    Type:
    Small molecule

    AlogP:
    2.78

    Polar Surface Area:
    50.27

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  6. ALA4532983

    Name:
    N-butyl-4-(hexyloxy)-N-pentyl-1,4-dihydronaphthale
    Show More

    Mol. Formula:
    C26H42N2O

    M.W.:
    398.64

    Type:
    Unknown

    AlogP:
    7.25

    Polar Surface Area:
    36.32

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  7. ALA4476815

    Name:
    N'-((5-(pyridin-2-ylthio)furan-2-yl)methylene)ison
    Show More

    Mol. Formula:
    C16H12N4O2S

    M.W.:
    324.37

    Type:
    Unknown

    AlogP:
    2.98

    Polar Surface Area:
    80.38

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  8. Type:
    Unknown

    AlogP:
    3.73

    Polar Surface Area:
    67.49

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  9. ALA4465693

    Name:
    Okadaic acid

    Mol. Formula:
    C44H68O13

    M.W.:
    805.02

    Type:
    Unknown

    AlogP:
    5.21

    Polar Surface Area:
    182.83

    HBA:
    12

    HBD:
    5

    #RO5 Violations:
    3

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  10. ALA4463681

    Name:
    3-bromo-N'-((5-(pyridin-2-ylthio)furan-2-yl)methyl
    Show More

    Mol. Formula:
    C17H12BrN3O2S

    M.W.:
    402.27

    Type:
    Unknown

    AlogP:
    4.35

    Polar Surface Area:
    67.49

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  11. ALA4459891

    Name:
    (E)-N'-((5-(pyridin-2-ylthio)furan-2-yl)methylene)
    Show More

    Mol. Formula:
    C17H13N3O2S

    M.W.:
    323.38

    Type:
    Unknown

    AlogP:
    3.59

    Polar Surface Area:
    67.49

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  12. ALA4458563

    Name:
    1-(bis(4-chlorophenyl)methyl)-3-(2-(2-chloro-4-(ch
    Show More

    Mol. Formula:
    C32H25Cl6N2O+

    M.W.:
    666.28

    Type:
    Unknown

    AlogP:
    10.38

    Polar Surface Area:
    18.04

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  13. ALA4449839

    Name:
    Sodium manganate

    Mol. Formula:
    MnNa2O4

    M.W.:
    164.91

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA4446792

    Name:
    N'-((5-(pyridin-2-ylthio)furan-2-yl)methylene)-2-(
    Show More

    Mol. Formula:
    C19H17N3O3S

    M.W.:
    367.43

    Type:
    Unknown

    AlogP:
    3.66

    Polar Surface Area:
    76.72

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  15. ALA4446652

    Name:
    2-nitro-N'-((5-(pyridin-2-ylthio)furan-2-yl)methyl
    Show More

    Mol. Formula:
    C17H12N4O4S

    M.W.:
    368.37

    Type:
    Unknown

    AlogP:
    3.50

    Polar Surface Area:
    110.63

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  16. ALA4445513

    Name:
    (E)-3-chloro-N'-((5-((4-nitrophenoxy)methyl)furan-
    Show More

    Mol. Formula:
    C19H14ClN3O5

    M.W.:
    399.79

    Type:
    Unknown

    AlogP:
    4.18

    Polar Surface Area:
    106.97

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  17. ALA3214407

    Name:
    SID26725935

    Cas Number:
    841207-75-8

    Mol. Formula:
    C14H16N6O3S

    M.W.:
    348.39

    Type:
    Small molecule

    AlogP:
    -0.08

    Polar Surface Area:
    124.49

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  18. ALA3212867

    Name:
    SID24818469

    Cas Number:
    338411-87-3

    Mol. Formula:
    C13H12N4O2

    M.W.:
    256.26

    Type:
    Small molecule

    AlogP:
    1.73

    Polar Surface Area:
    72.43

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  19. ALA3212577

    Name:
    SID26660273

    Mol. Formula:
    C22H27N3O6S

    M.W.:
    461.54

    Type:
    Small molecule

    AlogP:
    2.46

    Polar Surface Area:
    106.53

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  20. ALA3212406

    Name:
    SID26662006

    Mol. Formula:
    C16H15N3O2

    M.W.:
    281.32

    Type:
    Small molecule

    AlogP:
    2.88

    Polar Surface Area:
    60.39

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
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