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  1. ALA1082611

    Name:
    (2S)-(4-[3-(3,4-Difluorophenyl)-2,2-dioxido-2,1,3-
    Show More

    Mol. Formula:
    C17H19F2N3O3S

    M.W.:
    383.42

    Type:
    Small molecule

    AlogP:
    2.14

    Polar Surface Area:
    72.88

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  2. ALA1086035

    Name:
    (2S)-(4-[3-(2-Chlorophenyl)-2,2-dioxido-2,1,3-benz
    Show More

    Mol. Formula:
    C17H20ClN3O3S

    M.W.:
    381.89

    Type:
    Small molecule

    AlogP:
    2.51

    Polar Surface Area:
    72.88

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  3. ALA1082459

    Name:
    (2R)-(4-[3-(2-Chlorophenyl)-2,2-dioxido-2,1,3-benz
    Show More

    Mol. Formula:
    C17H20ClN3O3S

    M.W.:
    381.89

    Type:
    Small molecule

    AlogP:
    2.51

    Polar Surface Area:
    72.88

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  4. ALA1083408

    Name:
    (2R)-4-(2,2-Dioxido-3-phenyl-2,1,3-benzothiadiazol
    Show More

    Mol. Formula:
    C17H21N3O3S

    M.W.:
    347.44

    Type:
    Small molecule

    AlogP:
    1.86

    Polar Surface Area:
    72.88

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  5. ALA1083083

    Name:
    4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzothiad
    Show More

    Mol. Formula:
    C17H20FN3O3S

    M.W.:
    365.43

    Type:
    Small molecule

    AlogP:
    2.00

    Polar Surface Area:
    72.88

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  6. ALA1085831

    Name:
    4-[3-(2-Fluorophenyl)-2,2-dioxido-2,1,3-benzothiad
    Show More

    Mol. Formula:
    C17H20FN3O2S

    M.W.:
    349.43

    Type:
    Small molecule

    AlogP:
    3.03

    Polar Surface Area:
    52.65

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  7. ALA1099212

    Name:
    (-)-R-1-(1-(3-chlorophenyl)-2-(4-methylpiperazin-1
    Show More

    Mol. Formula:
    C19H30ClN3

    M.W.:
    335.92

    Type:
    Small molecule

    AlogP:
    3.33

    Polar Surface Area:
    32.50

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.92

    DETAILS
  8. ALA1099179

    Name:
    (+)-S-1-(1-(3-chlorophenyl)-2-(4-methylpiperazin-1
    Show More

    Mol. Formula:
    C19H29ClN2O

    M.W.:
    336.91

    Type:
    Small molecule

    AlogP:
    3.37

    Polar Surface Area:
    26.71

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  9. ALA1099178

    Name:
    (-)-R-1-(1-(5-chlorothiophen-3-yl)-2-(4-methylpipe
    Show More

    Mol. Formula:
    C17H27ClN2OS

    M.W.:
    342.94

    Type:
    Small molecule

    AlogP:
    3.43

    Polar Surface Area:
    26.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  10. ALA1095850

    Name:
    (+)-S-1-(1-(5-chlorothiophen-3-yl)-2-(4-methylpipe
    Show More

    Mol. Formula:
    C17H27ClN2OS

    M.W.:
    342.94

    Type:
    Small molecule

    AlogP:
    3.43

    Polar Surface Area:
    26.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  11. ALA4547192

    Name:
    1-(3-(5-Benzhydryl-1H-tetrazol-1-yl)propyl)-4-(2-f
    Show More

    Mol. Formula:
    C28H28F4N6

    M.W.:
    524.57

    Type:
    Unknown

    AlogP:
    5.22

    Polar Surface Area:
    50.08

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  12. ALA5271116

    Name:
    methyl (1R,2S,3S,5S)-3-(3,4-dichlorophenyl)-8-oxab
    Show More

    Mol. Formula:
    C15H16Cl2O3

    M.W.:
    315.20

    Type:
    ---

    AlogP:
    3.82

    Polar Surface Area:
    35.53

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  13. ALA4560378

    Name:
    5-[(Benzhydrylsulfinyl)methyl]-2-methoxythiazole

    Mol. Formula:
    C18H17NO2S2

    M.W.:
    343.47

    Type:
    Unknown

    AlogP:
    4.19

    Polar Surface Area:
    45.18

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  14. ALA4559266

    Name:
    1-(3-(5-Benzhydryl-1H-tetrazol-1-yl)propyl)-4-(2,6
    Show More

    Mol. Formula:
    C29H34N6

    M.W.:
    466.63

    Type:
    Unknown

    AlogP:
    4.68

    Polar Surface Area:
    50.08

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  15. ALA4558778

    Name:
    1-(3-(5-Benzhydryl-1H-tetrazol-1-yl)propyl)-4-(3-f
    Show More

    Mol. Formula:
    C27H29FN6

    M.W.:
    456.57

    Type:
    Unknown

    AlogP:
    4.20

    Polar Surface Area:
    50.08

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  16. ALA4558014

    Name:
    5-({(R)-[(S)-(4-Fluorophenyl)(phenyl)methyl]sulfin
    Show More

    Mol. Formula:
    C17H14FNOS2

    M.W.:
    331.44

    Type:
    Unknown

    AlogP:
    4.32

    Polar Surface Area:
    35.95

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  17. ALA4557158

    Name:
    1-(4-(5-Benzhydryl-1H-tetrazol-1-yl)butyl)-4-(2-ch
    Show More

    Mol. Formula:
    C28H31ClN6

    M.W.:
    487.05

    Type:
    Unknown

    AlogP:
    5.11

    Polar Surface Area:
    50.08

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  18. ALA4555101

    Name:
    1-(2-((1-(3-Amino-1H-1,2,4-triazol-5-yl)piperidin-
    Show More

    Mol. Formula:
    C19H29ClN8O

    M.W.:
    420.95

    Type:
    Unknown

    AlogP:
    1.48

    Polar Surface Area:
    115.20

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  19. ALA4554733

    Name:
    2-(4-(4-(5-Benzhydryl-1H-tetrazol-1-yl)butyl)piper
    Show More

    Mol. Formula:
    C26H30N8

    M.W.:
    454.58

    Type:
    Unknown

    AlogP:
    3.25

    Polar Surface Area:
    75.86

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  20. ALA4552525

    Name:
    5-({(S)-[(S)-(4-Methylphenyl)(phenyl)methyl]sulfin
    Show More

    Mol. Formula:
    C18H17NOS2

    M.W.:
    327.47

    Type:
    Unknown

    AlogP:
    4.49

    Polar Surface Area:
    35.95

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
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