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  1. ALA2335444

    Name:
    RQIKIWFQNRRMKWKKGGCKRPPKLGQIGRAKRVVI

    Mol. Formula:
    C197H335N67O41S2

    M.W.:
    4362.41

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA1938954

    Name:
    4-(1-(3-chlorophenyl)-1H-1,2,3-triazol-4-yl)pyridine

    Mol. Formula:
    C13H9ClN4

    M.W.:
    256.70

    Type:
    Small molecule

    AlogP:
    2.98

    Polar Surface Area:
    43.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  3. ALA1938953

    Name:
    4-(1-(4-chlorophenyl)-1H-1,2,3-triazol-4-yl)pyridine

    Mol. Formula:
    C13H9ClN4

    M.W.:
    256.70

    Type:
    Small molecule

    AlogP:
    2.98

    Polar Surface Area:
    43.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  4. ALA1271447

    Name:
    N-(6-benzyl-2-(phenethylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yShow More

    Mol. Formula:
    C32H31N5O2S

    M.W.:
    549.70

    Type:
    Small molecule

    AlogP:
    5.64

    Polar Surface Area:
    87.22

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  5. ALA1270522

    Name:
    4-chloro-N-(2-(phenethylamino)pyrimidin-4-yl)benzenesulfonamide

    Mol. Formula:
    C18H17ClN4O2S

    M.W.:
    388.88

    Type:
    Small molecule

    AlogP:
    3.59

    Polar Surface Area:
    83.98

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  6. ALA1270331

    Name:
    N-(6-benzyl-2-(phenethylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-yShow More

    Mol. Formula:
    C29H30ClN5O2S

    M.W.:
    548.11

    Type:
    Small molecule

    AlogP:
    5.45

    Polar Surface Area:
    87.22

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
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