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  1. ALA4091292

    Name:
    NA

    Mol. Formula:
    C61H88N14O18S

    M.W.:
    1337.52

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA2316578

    Name:
    N-(2-(diethylamino)-ethyl)-18F-5-fluoropicolinamide

    Mol. Formula:
    C12H18FN3O

    M.W.:
    238.30

    Type:
    Small molecule

    AlogP:
    1.29

    Polar Surface Area:
    45.23

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  3. ALA2177505

    Name:
    rac-[18F]-2-Fluoro-4-(phosphonomethyl)pentanedioic Acid

    Mol. Formula:
    C6H10FO7P

    M.W.:
    243.11

    Type:
    Small molecule

    AlogP:
    -0.32

    Polar Surface Area:
    132.13

    HBA:
    3

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  4. ALA2158562

    Name:
    2-[4-(2-Chloro-4,5-dimethoxy-phenyl)-5-cyano-7Hpyrrolo[2,3-d]pyrimidin-2-ylShow More

    Mol. Formula:
    C19H18ClN5O3S

    M.W.:
    431.91

    Type:
    Small molecule

    AlogP:
    3.35

    Polar Surface Area:
    104.13

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  5. ALA2158561

    Name:
    2-[4-(2-Chloro-5-hydroxy-4-methoxy-phenyl)-5-cyano-7H-pyrrolo[2,3-d]pyrimidShow More

    Mol. Formula:
    C18H16ClN5O3S

    M.W.:
    417.88

    Type:
    Small molecule

    AlogP:
    3.04

    Polar Surface Area:
    115.13

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  6. ALA2062929

    Name:
    [123I]-(S)-2-(3-((S)-1-carboxy-5-(2-(4-iodo-1H-1,2,3-triazol-1-yl)acetamidoShow More

    Mol. Formula:
    C16H23IN6O8

    M.W.:
    550.30

    Type:
    Small molecule

    AlogP:
    -0.76

    Polar Surface Area:
    212.84

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  7. ALA2042249

    Name:
    4,4'-(1E,1'E)-2,2'-(6,6'-(14-([18F]2-fluoroethoxy)-3,6,9,12,16,19,22,25-octShow More

    Mol. Formula:
    C49H67FN4O11

    M.W.:
    906.09

    Type:
    Small molecule

    AlogP:
    6.85

    Polar Surface Area:
    151.37

    HBA:
    15

    HBD:
    2

    #RO5 Violations:
    3

    #Rotatable Bonds:
    39

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  8. ALA1681928

    Name:
    5-(1-Carbonyl-L-Trp)-2,2-dimethyl-[1,3]dithiolane-4-carboxylic acid

    Mol. Formula:
    C18H20N2O5S2

    M.W.:
    408.50

    Type:
    Small molecule

    AlogP:
    2.32

    Polar Surface Area:
    119.49

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  9. ALA498844

    Name:
    4-(3-(4-[125I]Iodophenyl)-1,2,4-oxadiazol-5-yl)aniline

    Mol. Formula:
    C14H10IN3O

    M.W.:
    361.16

    Type:
    Small molecule

    AlogP:
    3.59

    Polar Surface Area:
    64.94

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
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