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  1. ALA449220

    Name:
    cucurbitacin C

    Mol. Formula:
    C32H48O8

    M.W.:
    560.73

    Type:
    Small molecule

    AlogP:
    3.29

    Polar Surface Area:
    141.36

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  2. ALA455613

    Name:
    Hop-22(29)-ene

    Mol. Formula:
    C30H50

    M.W.:
    410.73

    Type:
    Small molecule

    AlogP:
    9.05

    Polar Surface Area:
    0.00

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  3. Campesterol

    Name:
    campesterol

    Mol. Formula:
    C28H48O

    M.W.:
    400.69

    Type:
    Small molecule

    AlogP:
    7.63

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  4. Lupenone

    Name:
    lupenone

    Mol. Formula:
    C30H48O

    M.W.:
    424.71

    Type:
    Small molecule

    AlogP:
    8.23

    Polar Surface Area:
    17.07

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  5. Cucurbitacin A

    Name:
    Cucurbitacin A

    Mol. Formula:
    C32H46O9

    M.W.:
    574.71

    Type:
    Small molecule

    AlogP:
    2.47

    Polar Surface Area:
    158.43

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  6. ALA485801

    Name:
    Tetrahymanol

    Mol. Formula:
    C30H52O

    M.W.:
    428.75

    Type:
    Small molecule

    AlogP:
    8.25

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
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