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  1. ALA2087613

    Name:
    Manadosterol B

    Mol. Formula:
    C54H84Na4O18S4

    M.W.:
    1241.48

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA2087612

    Name:
    Manadosterol A

    Mol. Formula:
    C54H83Na5O21S5

    M.W.:
    1343.52

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA510466

    Name:
    Acetic acid-(1S,26S,27R)-26-acetoxy-27-acetylamino-1-((R)-1-acetylamino-ethShow More

    Mol. Formula:
    C38H60N2O6

    M.W.:
    640.91

    Type:
    Small molecule

    AlogP:
    7.92

    Polar Surface Area:
    110.80

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    25

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  4. ALA465242

    Name:
    (2R,3S,28S,29R)-2,29-diaminotriacontane-3,28-diol

    Mol. Formula:
    C30H64N2O2

    M.W.:
    484.85

    Type:
    Small molecule

    AlogP:
    7.77

    Polar Surface Area:
    92.50

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    27

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  5. ALA465243

    Name:
    leucettamol A

    Mol. Formula:
    C30H52N2O2

    M.W.:
    472.76

    Type:
    Small molecule

    AlogP:
    6.42

    Polar Surface Area:
    92.50

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
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