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  1. ALA5265882

    Name:
    (S)-1,1'-(piperazine-1,4-diyl)bis(2-(((S)-5-hydrox
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    Mol. Formula:
    C34H48N4O4

    M.W.:
    576.78

    Type:
    ---

    AlogP:
    3.61

    Polar Surface Area:
    87.56

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  2. ALA2024677

    Name:
    trans-3-(4-(2-(4-(3,5-dichlorophenyl)piperazin-1-y
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    Mol. Formula:
    C21H32Cl2N4O

    M.W.:
    427.42

    Type:
    Small molecule

    AlogP:
    4.34

    Polar Surface Area:
    38.82

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  3. ALA2024676

    Name:
    trans-3-(4-(2-(4-(3,4-dichlorophenyl)piperazin-1-y
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    Mol. Formula:
    C21H32Cl2N4O

    M.W.:
    427.42

    Type:
    Small molecule

    AlogP:
    4.34

    Polar Surface Area:
    38.82

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  4. ALA2024675

    Name:
    trans-3-(4-(2-(4-(2,5-dichlorophenyl)piperazin-1-y
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    Mol. Formula:
    C21H32Cl2N4O

    M.W.:
    427.42

    Type:
    Small molecule

    AlogP:
    4.34

    Polar Surface Area:
    38.82

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  5. ALA2024525

    Name:
    trans-3-(4-(2-(4-(2,4-dichlorophenyl)piperazin-1-y
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    Mol. Formula:
    C21H32Cl2N4O

    M.W.:
    427.42

    Type:
    Small molecule

    AlogP:
    4.34

    Polar Surface Area:
    38.82

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  6. ALA2024524

    Name:
    trans-3-(4-(2-(4-(4-chlorophenyl)piperazin-1-yl)et
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    Mol. Formula:
    C21H33ClN4O

    M.W.:
    392.98

    Type:
    Small molecule

    AlogP:
    3.68

    Polar Surface Area:
    38.82

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  7. ALA2024523

    Name:
    trans-3-(4-(2-(4-(3-chlorophenyl)piperazin-1-yl)et
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    Mol. Formula:
    C21H33ClN4O

    M.W.:
    392.98

    Type:
    Small molecule

    AlogP:
    3.68

    Polar Surface Area:
    38.82

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  8. ALA2024522

    Name:
    trans-3-(4-(2-(4-(2-chlorophenyl)piperazin-1-yl)et
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    Mol. Formula:
    C21H33ClN4O

    M.W.:
    392.98

    Type:
    Small molecule

    AlogP:
    3.68

    Polar Surface Area:
    38.82

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  9. ALA2024521

    Name:
    trans-1,1-dimethyl-3-(4-(2-(4-phenylpiperazin-1-yl
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    Mol. Formula:
    C21H34N4O

    M.W.:
    358.53

    Type:
    Small molecule

    AlogP:
    3.03

    Polar Surface Area:
    38.82

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  10. ALA2024520

    Name:
    trans-1-(4-(2-(4-(3,4-dichlorophenyl)piperazin-1-y
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    Mol. Formula:
    C19H28Cl2N4O

    M.W.:
    399.37

    Type:
    Small molecule

    AlogP:
    3.73

    Polar Surface Area:
    61.60

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  11. ALA2024519

    Name:
    trans-3-(4-(2-(4-(2,3-dichlorophenyl)piperazin-1-y
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    Mol. Formula:
    C23H36Cl2N4O

    M.W.:
    455.47

    Type:
    Small molecule

    AlogP:
    5.12

    Polar Surface Area:
    38.82

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  12. ALA2024518

    Name:
    trans-1-(4-(2-(4-(2,3-dichlorophenyl)piperazin-1-y
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    Cas Number:
    839712-14-0

    Mol. Formula:
    C21H32Cl2N4O

    M.W.:
    427.42

    Type:
    Small molecule

    AlogP:
    4.38

    Polar Surface Area:
    47.61

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  13. Cariprazine hydrochloride

    Name:
    cariprazine hydrochloride

    Cas Number:
    1083076-69-0

    Mol. Formula:
    C21H33Cl3N4O

    M.W.:
    463.88

    Type:
    Small molecule

    AlogP:
    4.34

    Polar Surface Area:
    38.82

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  14. ALA2024516

    Name:
    trans-N-(4-(2-(4-(2,3-dichlorophenyl)piperazin-1-y
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    Mol. Formula:
    C21H31Cl2N3O

    M.W.:
    412.41

    Type:
    Small molecule

    AlogP:
    4.59

    Polar Surface Area:
    35.58

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  15. ALA2024515

    Name:
    trans-N-(4-(2-(4-(2,3-dichlorophenyl)piperazin-1-y
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    Mol. Formula:
    C19H29Cl2N3O2S

    M.W.:
    434.43

    Type:
    Small molecule

    AlogP:
    3.61

    Polar Surface Area:
    52.65

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  16. ALA2024514

    Name:
    trans-N-(4-(2-(4-(2,3-dichlorophenyl)piperazin-1-y
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    Mol. Formula:
    C20H29Cl2N3O

    M.W.:
    398.38

    Type:
    Small molecule

    AlogP:
    4.20

    Polar Surface Area:
    35.58

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  17. ALA2024513

    Name:
    trans-N-(4-(2-(4-(2,3-dichlorophenyl)piperazin-1-y
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    Mol. Formula:
    C20H26Cl2F3N3O

    M.W.:
    452.35

    Type:
    Small molecule

    AlogP:
    4.74

    Polar Surface Area:
    35.58

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  18. ALA2024512

    Name:
    trans-ethyl 4-(2-(4-(3-(trifluoromethyl)benzyl)pip
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    Mol. Formula:
    C23H34F3N3O2

    M.W.:
    441.54

    Type:
    Small molecule

    AlogP:
    4.52

    Polar Surface Area:
    44.81

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  19. ALA2024511

    Name:
    trans-N-(4-(2-(4-(3-(trifluoromethyl)benzyl)pipera
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    Mol. Formula:
    C21H32F3N3O2S

    M.W.:
    447.57

    Type:
    Small molecule

    AlogP:
    3.32

    Polar Surface Area:
    52.65

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  20. ALA2021954

    Name:
    trans-N-(4-(2-(4-(3-(trifluoromethyl)phenoxy)piper
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    Mol. Formula:
    C22H31F3N2O2

    M.W.:
    412.50

    Type:
    Small molecule

    AlogP:
    4.63

    Polar Surface Area:
    41.57

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
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