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  1. ALA5203060

    Name:
    Juvenimicin C

    Mol. Formula:
    C29H48O10

    M.W.:
    556.69

    Type:
    ---

    AlogP:
    1.89

    Polar Surface Area:
    155.28

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  2. ALA5087784

    Name:
    Notoscarin E

    Mol. Formula:
    C20H28O3

    M.W.:
    316.44

    Type:
    Unknown

    AlogP:
    3.63

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  3. ALA5085612

    Name:
    Notoscarin F

    Mol. Formula:
    C20H30O3

    M.W.:
    318.46

    Type:
    Unknown

    AlogP:
    3.71

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  4. ALA5084396

    Name:
    Notoscarin D

    Mol. Formula:
    C21H32O3

    M.W.:
    332.48

    Type:
    Unknown

    AlogP:
    4.08

    Polar Surface Area:
    38.69

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  5. ALA5077501

    Name:
    Notoscarin C

    Mol. Formula:
    C19H29ClO3

    M.W.:
    340.89

    Type:
    Unknown

    AlogP:
    3.17

    Polar Surface Area:
    60.69

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  6. ALA4879203

    Name:
    Coprisamide B

    Mol. Formula:
    C46H66N8O11

    M.W.:
    907.08

    Type:
    Unknown

    AlogP:
    0.85

    Polar Surface Area:
    293.32

    HBA:
    11

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  7. ALA4877957

    Name:
    Coprisamide A

    Mol. Formula:
    C47H68N8O11

    M.W.:
    921.11

    Type:
    Unknown

    AlogP:
    1.24

    Polar Surface Area:
    293.32

    HBA:
    11

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  8. ALA4875799

    Name:
    Coprisamide D

    Mol. Formula:
    C47H70N8O11

    M.W.:
    923.12

    Type:
    Unknown

    AlogP:
    1.32

    Polar Surface Area:
    293.32

    HBA:
    11

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  9. ALA4872244

    Name:
    Scaparin G

    Mol. Formula:
    C20H28O3

    M.W.:
    316.44

    Type:
    Unknown

    AlogP:
    2.99

    Polar Surface Area:
    54.37

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  10. ALA4872201

    Name:
    Scaparin D

    Mol. Formula:
    C22H28O8

    M.W.:
    420.46

    Type:
    Unknown

    AlogP:
    1.59

    Polar Surface Area:
    103.82

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  11. ALA4861045

    Name:
    Scaparin B

    Mol. Formula:
    C20H26O7

    M.W.:
    378.42

    Type:
    Unknown

    AlogP:
    1.02

    Polar Surface Area:
    94.45

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  12. ALA4856463

    Name:
    Scaparin E

    Mol. Formula:
    C22H28O8

    M.W.:
    420.46

    Type:
    Unknown

    AlogP:
    1.59

    Polar Surface Area:
    103.82

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  13. ALA4852900

    Name:
    Scaparin F

    Mol. Formula:
    C25H34O10

    M.W.:
    494.54

    Type:
    Unknown

    AlogP:
    1.77

    Polar Surface Area:
    130.12

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  14. ALA4852005

    Name:
    Scaparin A

    Mol. Formula:
    C20H26O5

    M.W.:
    346.42

    Type:
    Unknown

    AlogP:
    2.97

    Polar Surface Area:
    61.06

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  15. ALA4848540

    Name:
    Scaparin C

    Mol. Formula:
    C22H28O6

    M.W.:
    388.46

    Type:
    Unknown

    AlogP:
    3.54

    Polar Surface Area:
    70.43

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  16. ALA4799992

    Name:
    1-(3-chloro-4-fluorophenyl)undeca-2,4-diyne-1,6-diol

    Mol. Formula:
    C17H18ClFO2

    M.W.:
    308.78

    Type:
    Unknown

    AlogP:
    3.46

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  17. ALA4799582

    Name:
    1-(3-chlorophenyl)-8-methyl-nona-2,4-diyne-1,6-diol

    Mol. Formula:
    C16H17ClO2

    M.W.:
    276.76

    Type:
    Unknown

    AlogP:
    2.79

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.83

    DETAILS
  18. ALA4798808

    Name:
    1-(4-fluorophenyl)pentadeca-2,4-diyne-1,6-diol

    Mol. Formula:
    C21H27FO2

    M.W.:
    330.44

    Type:
    Unknown

    AlogP:
    4.37

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  19. ALA4798342

    Name:
    1-(4-methoxy-2-methylphenyl)undeca-2,4-diyne-1,6-diol

    Mol. Formula:
    C19H24O3

    M.W.:
    300.40

    Type:
    Unknown

    AlogP:
    2.99

    Polar Surface Area:
    49.69

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  20. ALA4796267

    Name:
    1-(3-chlorophenyl)-6-cyclohexyl-hexa-2,4-diyne-1,6-diol

    Mol. Formula:
    C18H19ClO2

    M.W.:
    302.80

    Type:
    Unknown

    AlogP:
    3.32

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
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