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  1. ALA4876850

    Name:
    Podospin B

    Mol. Formula:
    C18H24O6

    M.W.:
    336.38

    Type:
    Unknown

    AlogP:
    2.47

    Polar Surface Area:
    104.06

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  2. ALA4872581

    Name:
    Podospin D

    Mol. Formula:
    C19H24O6

    M.W.:
    348.40

    Type:
    Unknown

    AlogP:
    2.85

    Polar Surface Area:
    93.06

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  3. ALA4869449

    Name:
    Podospin A

    Mol. Formula:
    C18H22O6

    M.W.:
    334.37

    Type:
    Unknown

    AlogP:
    2.25

    Polar Surface Area:
    104.06

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  4. ALA4869254

    Name:
    Cochliomycin D

    Mol. Formula:
    C19H22O7

    M.W.:
    362.38

    Type:
    Unknown

    AlogP:
    1.60

    Polar Surface Area:
    113.29

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  5. ALA5287708

    Name:
    (2S,3S)-2-[[(1S)-3-amino-1-[3-(1-aminocyclohexyl)-
    Show More

    Mol. Formula:
    C16H26N6O6

    M.W.:
    398.42

    Type:
    ---

    AlogP:
    -0.76

    Polar Surface Area:
    206.69

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  6. ALA5287411

    Name:
    (2S,3S)-2-[[(1S)-1-[3-[(1R)-1-amino-2-hydroxy-ethy
    Show More

    Mol. Formula:
    C16H28N6O7

    M.W.:
    416.44

    Type:
    ---

    AlogP:
    -1.46

    Polar Surface Area:
    212.93

    HBA:
    9

    HBD:
    7

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  7. ALA5286138

    Name:
    Isopenicin A

    Mol. Formula:
    C44H58O11

    M.W.:
    762.94

    Type:
    ---

    AlogP:
    6.57

    Polar Surface Area:
    156.41

    HBA:
    11

    HBD:
    ---

    #RO5 Violations:
    3

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  8. ALA5281548

    Name:
    Peniandranoid E

    Mol. Formula:
    C44H58O12

    M.W.:
    778.94

    Type:
    ---

    AlogP:
    5.54

    Polar Surface Area:
    176.64

    HBA:
    12

    HBD:
    1

    #RO5 Violations:
    3

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  9. ALA5280876

    Name:
    (2S,3S)-2-[[(1S)-3-amino-1-[3-[(1S)-1,5-diaminopen
    Show More

    Mol. Formula:
    C15H27N7O6

    M.W.:
    401.42

    Type:
    ---

    AlogP:
    -1.75

    Polar Surface Area:
    232.71

    HBA:
    9

    HBD:
    7

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  10. ALA5279809

    Name:
    Peniandranoid B

    Mol. Formula:
    C38H50O10

    M.W.:
    666.81

    Type:
    ---

    AlogP:
    5.20

    Polar Surface Area:
    164.50

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  11. ALA5278932

    Name:
    2-[(5S,10S,14S)-14-[(1S)-1-hydroxyethyl]-5-(hydrox
    Show More

    Mol. Formula:
    C18H31N7O10

    M.W.:
    505.49

    Type:
    ---

    AlogP:
    -5.93

    Polar Surface Area:
    259.54

    HBA:
    10

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  12. ALA5278189

    Name:
    Isopenicin B

    Mol. Formula:
    C44H58O11

    M.W.:
    762.94

    Type:
    ---

    AlogP:
    6.57

    Polar Surface Area:
    156.41

    HBA:
    11

    HBD:
    ---

    #RO5 Violations:
    3

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  13. ALA5289661

    Name:
    Peniandranoid D

    Mol. Formula:
    C38H48O11

    M.W.:
    680.79

    Type:
    ---

    AlogP:
    5.57

    Polar Surface Area:
    170.57

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    3

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  14. ALA5288257

    Name:
    (2S,5S,8S,17S)-N-[(1S)-2-[[(1S)-2-amino-1-benzyl-2
    Show More

    Mol. Formula:
    C33H51N9O12

    M.W.:
    765.82

    Type:
    ---

    AlogP:
    -6.61

    Polar Surface Area:
    353.73

    HBA:
    13

    HBD:
    13

    #RO5 Violations:
    3

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  15. ALA4858781

    Name:
    Podospin F

    Mol. Formula:
    C19H24O6

    M.W.:
    348.40

    Type:
    Unknown

    AlogP:
    2.85

    Polar Surface Area:
    93.06

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  16. ALA4856742

    Name:
    Podospin L

    Mol. Formula:
    C19H24O7

    M.W.:
    364.39

    Type:
    Unknown

    AlogP:
    1.82

    Polar Surface Area:
    113.29

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  17. ALA4856444

    Name:
    Podospin J

    Mol. Formula:
    C19H24O8

    M.W.:
    380.39

    Type:
    Unknown

    AlogP:
    0.79

    Polar Surface Area:
    133.52

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  18. ALA1077139

    Name:
    (6S,9S,12S,15S,18S,21S,24S,26aS,31aS)-21-benzyl-12
    Show More

    Mol. Formula:
    C58H87N9O9

    M.W.:
    1054.39

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  19. ALA4860053

    Name:
    Cochliomycin F

    Mol. Formula:
    C19H22O7

    M.W.:
    362.38

    Type:
    Unknown

    AlogP:
    1.60

    Polar Surface Area:
    113.29

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  20. ALA4859918

    Name:
    Podospin G

    Mol. Formula:
    C19H24O6

    M.W.:
    348.40

    Type:
    Unknown

    AlogP:
    2.85

    Polar Surface Area:
    93.06

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
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