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  1. ALA4084193

    Name:
    RDEA-436

    Mol. Formula:

    M.W.:

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. P276-00

    Name:
    P-276-00

    Mol. Formula:
    C21H21Cl2NO5

    M.W.:
    438.31

    Type:
    Small molecule

    AlogP:
    3.30

    Polar Surface Area:
    94.14

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  3. EOC317

    Name:
    ACTB-1003

    Mol. Formula:
    C27H26F5N7O3

    M.W.:
    591.54

    Type:
    Small molecule

    AlogP:
    4.90

    Polar Surface Area:
    119.04

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  4. ALA3991933

    Name:
    Sapanisertib

    Mol. Formula:
    C16H16N6O

    M.W.:
    308.35

    Type:
    Small molecule

    AlogP:
    3.11

    Polar Surface Area:
    95.65

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  5. ONO-4059 analogue

    Name:
    ONO-4059-analogue

    Mol. Formula:
    C25H24N6O3

    M.W.:
    456.51

    Type:
    Small molecule

    AlogP:
    3.31

    Polar Surface Area:
    108.27

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  6. Cerdulatinib (PRT062070) hydrochloride

    Name:
    Cerdulatinib Hydrochloride

    Mol. Formula:
    C20H28ClN7O3S

    M.W.:
    482.01

    Type:
    Small molecule

    AlogP:
    1.37

    Polar Surface Area:
    133.55

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  7. ALA3544944

    Name:
    XL-413

    Mol. Formula:
    C14H12ClN3O2

    M.W.:
    289.72

    Type:
    Small molecule

    AlogP:
    2.75

    Polar Surface Area:
    70.92

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
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