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  1. ALA4878961

    Name:
    6-(4-bromophenyl)-4-(4-(2-chlorophenyl)piperazin-1
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    Mol. Formula:
    C22H17BrClN3O2

    M.W.:
    470.75

    Type:
    Unknown

    AlogP:
    4.92

    Polar Surface Area:
    60.48

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  2. ALA4878658

    Name:
    5-Nitrothiophen-2-yl-N-t-butyl nitrone

    Mol. Formula:
    C9H12N2O3S

    M.W.:
    228.27

    Type:
    Unknown

    AlogP:
    2.38

    Polar Surface Area:
    69.21

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  3. ALA4878100

    Name:
    8-(4-bromophenyl)-6-(4-(2-hydroxyphenyl)piperazin-
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    Mol. Formula:
    C26H24BrN3OS

    M.W.:
    506.47

    Type:
    Unknown

    AlogP:
    5.81

    Polar Surface Area:
    50.50

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  4. ALA4876294

    Name:
    5-Nitrofuran-2-yl-N-benzylnitrone

    Mol. Formula:
    C12H10N2O4

    M.W.:
    246.22

    Type:
    Unknown

    AlogP:
    2.32

    Polar Surface Area:
    82.35

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  5. ALA4876232

    Name:
    6-(4-(2-hydroxyphenyl)piperazin-1-yl)-8-(thiophen-
    Show More

    Mol. Formula:
    C24H23N3OS2

    M.W.:
    433.60

    Type:
    Unknown

    AlogP:
    5.11

    Polar Surface Area:
    50.50

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  6. ALA4875284

    Name:
    5-(4-(2-hydroxyphenyl)piperazin-1-yl)-7-phenyl-2,3
    Show More

    Mol. Formula:
    C25H23N3OS

    M.W.:
    413.55

    Type:
    Unknown

    AlogP:
    5.00

    Polar Surface Area:
    50.50

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  7. ALA4873636

    Name:
    (3R,4R)-8-hydroxy-3-((S)-2-hydroxypentyl)-4,6,7-tr
    Show More

    Mol. Formula:
    C17H24O7

    M.W.:
    340.37

    Type:
    Unknown

    AlogP:
    2.19

    Polar Surface Area:
    94.45

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  8. ALA4873233

    Name:
    4-(4-(2-chlorophenyl)piperazin-1-yl)-6-(4-methoxyp
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    Mol. Formula:
    C23H20ClN3O3

    M.W.:
    421.88

    Type:
    Unknown

    AlogP:
    4.17

    Polar Surface Area:
    69.71

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  9. ALA4871887

    Name:
    5-Nitrothiophen-2-yl-N-methyl nitrone

    Mol. Formula:
    C6H6N2O3S

    M.W.:
    186.19

    Type:
    Unknown

    AlogP:
    1.22

    Polar Surface Area:
    69.21

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  10. ALA4871480

    Name:
    4-(4-(2-hydroxyphenyl)piperazin-1-yl)-6-(naphthale
    Show More

    Mol. Formula:
    C26H21N3O3

    M.W.:
    423.47

    Type:
    Unknown

    AlogP:
    4.36

    Polar Surface Area:
    80.71

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  11. ALA5282032

    Name:
    2-(6-(2-(4-chlorophenyl)-2-oxoethyl)-5-(2-oxo-2H-c
    Show More

    Mol. Formula:
    C22H14ClN3O4

    M.W.:
    419.82

    Type:
    ---

    AlogP:
    4.13

    Polar Surface Area:
    105.02

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  12. ALA5281308

    Name:
    5-O-[beta-D-glucopyranosyl]-7,3',4'-methoxy-4-phen
    Show More

    Mol. Formula:
    C24H26O11

    M.W.:
    490.46

    Type:
    ---

    AlogP:
    0.66

    Polar Surface Area:
    157.28

    HBA:
    11

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  13. ALA5281197

    Name:
    N1-(6-chloro-2-methoxyacridin-9-yl)-N8-(7-chloro-2
    Show More

    Mol. Formula:
    C35H35Cl2N5O2

    M.W.:
    628.60

    Type:
    ---

    AlogP:
    9.67

    Polar Surface Area:
    81.19

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  14. ALA5279998

    Name:
    3-((2-chloro-8-methylquinolin-3-yl)(piperidin-1-yl
    Show More

    Mol. Formula:
    C25H23ClN2O3

    M.W.:
    434.92

    Type:
    ---

    AlogP:
    5.58

    Polar Surface Area:
    66.57

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  15. ALA5278877

    Name:
    N1-(4-(benzylamino)butyl)-N12-(3-(benzylamino)prop
    Show More

    Mol. Formula:
    C33H56N4

    M.W.:
    508.84

    Type:
    ---

    AlogP:
    6.82

    Polar Surface Area:
    48.12

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    26

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  16. ALA4867641

    Name:
    4-(4-(3-chlorophenyl)piperazin-1-yl)-2-oxo-6-pheny
    Show More

    Mol. Formula:
    C22H18ClN3O2

    M.W.:
    391.86

    Type:
    Unknown

    AlogP:
    4.16

    Polar Surface Area:
    60.48

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  17. ALA4866825

    Name:
    6-(4-chlorophenyl)-4-(4-(2-chlorophenyl)piperazin-
    Show More

    Mol. Formula:
    C22H17Cl2N3O2

    M.W.:
    426.30

    Type:
    Unknown

    AlogP:
    4.81

    Polar Surface Area:
    60.48

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  18. ALA4866054

    Name:
    6-(4-bromophenyl)-4-(4-(2-methoxyphenyl)piperazin-
    Show More

    Mol. Formula:
    C23H20BrN3O3

    M.W.:
    466.33

    Type:
    Unknown

    AlogP:
    4.28

    Polar Surface Area:
    69.71

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  19. ALA4865762

    Name:
    4-(4-(2-methoxyphenyl)piperazin-1-yl)-2-oxo-6-(thi
    Show More

    Mol. Formula:
    C21H19N3O3S

    M.W.:
    393.47

    Type:
    Unknown

    AlogP:
    3.58

    Polar Surface Area:
    69.71

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  20. ALA4863721

    Name:
    6-(5-Bromothiophen-2-yl)-4-(4-(2-hydroxyphenyl)pip
    Show More

    Mol. Formula:
    C20H16BrN3O3S

    M.W.:
    458.34

    Type:
    Unknown

    AlogP:
    4.03

    Polar Surface Area:
    80.71

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
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