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  1. ALA5282052

    Name:
    (2Z)-6-methoxy-2-[[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methylene]benzofuran-Show More

    Mol. Formula:
    C23H16N2O3S

    M.W.:
    400.46

    Type:
    ---

    AlogP:
    5.23

    Polar Surface Area:
    53.35

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  2. ALA2259807

    Name:
    2-(5-methylthiophen-2-yl)benzo[d]oxazole

    Mol. Formula:
    C12H9NOS

    M.W.:
    215.28

    Type:
    Small molecule

    AlogP:
    3.86

    Polar Surface Area:
    26.03

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  3. ALA1160551

    Name:
    3-propylbut-3-enyl trihydrogen diphosphate

    Mol. Formula:
    C7H16O7P2

    M.W.:
    274.15

    Type:
    Small molecule

    AlogP:
    1.96

    Polar Surface Area:
    113.29

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  4. ALA1160550

    Name:
    3-butylbut-3-enyl trihydrogen diphosphate

    Mol. Formula:
    C8H18O7P2

    M.W.:
    288.17

    Type:
    Small molecule

    AlogP:
    2.35

    Polar Surface Area:
    113.29

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  5. isopentenyl diphosphate

    Name:
    3-methylbut-3-enyl trihydrogen diphosphate

    Mol. Formula:
    C5H12O7P2

    M.W.:
    246.09

    Type:
    Small molecule

    AlogP:
    1.18

    Polar Surface Area:
    113.29

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
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