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  1. ALA3425832

    Name:
    [11C]-6-[ethyl-(4-isobutoxy-3-isopropylphenyl)amino]pyridine-3-carboxylic aShow More

    Mol. Formula:
    C21H28N2O3

    M.W.:
    355.47

    Type:
    Small molecule

    AlogP:
    5.10

    Polar Surface Area:
    62.66

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  2. ALA3425831

    Name:
    [11C]-6-(ethyl(3-isobutoxy-4-isopropylphenyl)amino)nicotinic acid

    Mol. Formula:
    C21H28N2O3

    M.W.:
    355.47

    Type:
    Small molecule

    AlogP:
    5.10

    Polar Surface Area:
    62.66

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  3. ALA3219249

    Name:
    NA

    Mol. Formula:
    C140H206ClN31O32S

    M.W.:
    2902.89

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA609872

    Name:
    L-3'-amino-3'-deoxy-N6-methyladenosine-5'-N-methyluronamide

    Mol. Formula:
    C12H17N7O3

    M.W.:
    307.31

    Type:
    Small molecule

    AlogP:
    -1.80

    Polar Surface Area:
    140.21

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  5. ALA594774

    Name:
    L-3'-amino-3'-deoxy-N6-dimethyladenosine

    Mol. Formula:
    C12H18N6O3

    M.W.:
    294.32

    Type:
    Small molecule

    AlogP:
    -1.53

    Polar Surface Area:
    122.55

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  6. ALA566570

    Name:
    N-{1-[4-(6-Bromobenzo[1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[cShow More

    Mol. Formula:
    C26H22BrIN4O2

    M.W.:
    627.30

    Type:
    Small molecule

    AlogP:
    6.84

    Polar Surface Area:
    67.77

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  7. ALA569278

    Name:
    1-{2-[4-(6-bromobenzo[1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[cShow More

    Mol. Formula:
    C28H25BrIN3O3

    M.W.:
    656.33

    Type:
    Small molecule

    AlogP:
    6.97

    Polar Surface Area:
    71.62

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
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