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  1. ALA5280570

    Name:
    1-(4-hydroxy-3-(4-(((S)-7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1Show More

    Mol. Formula:
    C34H36N2O6

    M.W.:
    568.67

    Type:
    ---

    AlogP:
    5.47

    Polar Surface Area:
    112.44

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  2. ALA5274562

    Name:
    (3S)-4-[[(1S)-3-amino-1-[[(1S)-4-amino-1-[[(1S)-5-amino-1-[[(1S)-1-[[(1S)-2Show More

    Mol. Formula:
    C185H292N58O41

    M.W.:
    3984.74

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA4101743

    Name:
    1-(2-methylpropyl)-4-(1-nitroethyl)benzene

    Mol. Formula:
    C12H17NO2

    M.W.:
    207.27

    Type:
    Small molecule

    AlogP:
    3.22

    Polar Surface Area:
    43.14

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  4. ALA4101450

    Name:
    3-(4-(2-methylpropyl))butan-2-one

    Mol. Formula:
    C14H20O

    M.W.:
    204.31

    Type:
    Small molecule

    AlogP:
    3.58

    Polar Surface Area:
    17.07

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  5. Ibuprofen Alcohol

    Name:
    2-[4-(2-methylpropyl)phenyl]-propan-1-ol; Ibuprofen alcohol

    Mol. Formula:
    C13H20O

    M.W.:
    192.30

    Type:
    Small molecule

    AlogP:
    2.98

    Polar Surface Area:
    20.23

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
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