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  1. ALA4217574

    Name:
    12N-p-chlorohydrocinnamyl aloperine

    Mol. Formula:
    C24H33ClN2

    M.W.:
    385.00

    Type:
    Small molecule

    AlogP:
    5.17

    Polar Surface Area:
    6.48

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  2. ALA4217037

    Name:
    12N-m-cyanobenzenesulfonyl aloperine

    Mol. Formula:
    C22H27N3O2S

    M.W.:
    397.54

    Type:
    Small molecule

    AlogP:
    3.14

    Polar Surface Area:
    64.41

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  3. ALA4215553

    Name:
    12N-p-chlorobenzenesulfonyl aloperine

    Mol. Formula:
    C21H27ClN2O2S

    M.W.:
    406.98

    Type:
    Small molecule

    AlogP:
    3.92

    Polar Surface Area:
    40.62

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  4. ALA4212624

    Name:
    Setraline Hydrochloride

    Mol. Formula:
    C17H18Cl3N

    M.W.:
    342.70

    Type:
    Small molecule

    AlogP:
    5.18

    Polar Surface Area:
    12.03

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  5. ALA4212060

    Name:
    12N-o-thiophenesulfonyl aloperine

    Mol. Formula:
    C19H26N2O2S2

    M.W.:
    378.56

    Type:
    Small molecule

    AlogP:
    3.33

    Polar Surface Area:
    40.62

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  6. ALA4211634

    Name:
    12N-3',5'-dichlorohydrocinnamyl aloperine

    Mol. Formula:
    C24H32Cl2N2

    M.W.:
    419.44

    Type:
    Small molecule

    AlogP:
    5.82

    Polar Surface Area:
    6.48

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  7. ALA4208233

    Name:
    12N-3',5'-dichlorophenylethyl aloperine

    Mol. Formula:
    C23H30Cl2N2

    M.W.:
    405.41

    Type:
    Small molecule

    AlogP:
    5.43

    Polar Surface Area:
    6.48

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  8. ALA4206756

    Name:
    12N-3',4'-dichlorohydrocinnamyl aloperine

    Mol. Formula:
    C24H32Cl2N2

    M.W.:
    419.44

    Type:
    Small molecule

    AlogP:
    5.82

    Polar Surface Area:
    6.48

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  9. ALA4203879

    Name:
    12N-p-chlorophenylethyl aloperine

    Mol. Formula:
    C23H31ClN2

    M.W.:
    370.97

    Type:
    Small molecule

    AlogP:
    4.78

    Polar Surface Area:
    6.48

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  10. ALA4203360

    Name:
    12N-3',4'-dichlorophenylethyl aloperine

    Mol. Formula:
    C23H30Cl2N2

    M.W.:
    405.41

    Type:
    Small molecule

    AlogP:
    5.43

    Polar Surface Area:
    6.48

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
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