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5 Items

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  1. ALA450047

    Name:
    cassumunin B

    Mol. Formula:
    C34H36O9

    M.W.:
    588.65

    Type:
    Small molecule

    AlogP:
    6.21

    Polar Surface Area:
    120.75

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  2. ALA473041

    Name:
    cassumunin A

    Mol. Formula:
    C33H34O8

    M.W.:
    558.63

    Type:
    Small molecule

    AlogP:
    6.20

    Polar Surface Area:
    111.52

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  3. ALA224229

    Name:
    (1R,3R,7S,8E,11S,12S,13E,17R,21R,23S)-11,21-dihydr
    Show More

    Mol. Formula:
    C40H64O13

    M.W.:
    752.94

    Type:
    Small molecule

    AlogP:
    5.10

    Polar Surface Area:
    176.51

    HBA:
    13

    HBD:
    3

    #RO5 Violations:
    3

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  4. ALA224190

    Name:
    (1R,3R,7S,8E,11S,12S,13E,17R,21R,23S)-11,21-dihydr
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    Mol. Formula:
    C41H66O13

    M.W.:
    766.97

    Type:
    Small molecule

    AlogP:
    5.76

    Polar Surface Area:
    165.51

    HBA:
    13

    HBD:
    2

    #RO5 Violations:
    3

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  5. ALA223661

    Name:
    byrostatin 1

    Mol. Formula:
    C47H68O16

    M.W.:
    889.05

    Type:
    Small molecule

    AlogP:
    4.55

    Polar Surface Area:
    230.88

    HBA:
    16

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
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