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  1. ALA4285248

    Name:
    Citreamicin Theta A

    Mol. Formula:
    C30H25NO11

    M.W.:
    575.53

    Type:
    Small molecule

    AlogP:
    2.57

    Polar Surface Area:
    187.20

    HBA:
    11

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  2. ALA4240005

    Name:
    Paramagnetoquinone B

    Mol. Formula:
    C22H12O9

    M.W.:
    420.33

    Type:
    Small molecule

    AlogP:
    0.86

    Polar Surface Area:
    133.27

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  3. ALA1213166

    Name:
    4'-pentyl-4'-depropyllincomycin

    Mol. Formula:
    C20H38N2O6S

    M.W.:
    434.60

    Type:
    Small molecule

    AlogP:
    -0.08

    Polar Surface Area:
    122.49

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  4. ALA407152

    Name:
    5-(3-nitrobenzylidene)-2-(benzo[d]thiazol-2-ylimino)thiazolidin-4-one

    Mol. Formula:
    C17H10N4O3S2

    M.W.:
    382.43

    Type:
    Small molecule

    AlogP:
    4.10

    Polar Surface Area:
    97.49

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  5. ALA409276

    Name:
    5-(4-nitrobenzylidene)-2-(benzo[d]thiazol-2-ylimino)thiazolidin-4-one

    Mol. Formula:
    C17H10N4O3S2

    M.W.:
    382.43

    Type:
    Small molecule

    AlogP:
    4.10

    Polar Surface Area:
    97.49

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  6. ALA409741

    Name:
    5-(2-chlorobenzylidene)-2-(benzo[d]thiazol-2-ylimino)thiazolidin-4-one

    Mol. Formula:
    C17H10ClN3OS2

    M.W.:
    371.87

    Type:
    Small molecule

    AlogP:
    4.84

    Polar Surface Area:
    54.35

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  7. ALA261268

    Name:
    5-(3-chlorobenzylidene)-2-(benzo[d]thiazol-2-ylimino)thiazolidin-4-one

    Mol. Formula:
    C17H10ClN3OS2

    M.W.:
    371.87

    Type:
    Small molecule

    AlogP:
    4.84

    Polar Surface Area:
    54.35

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  8. ALA259902

    Name:
    5-(4-chlorobenzylidene)-2-(benzo[d]thiazol-2-ylimino)thiazolidin-4-one

    Mol. Formula:
    C17H10ClN3OS2

    M.W.:
    371.87

    Type:
    Small molecule

    AlogP:
    4.84

    Polar Surface Area:
    54.35

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
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