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  1. ALA4099425

    Name:
    4-(3-chlorophenyl)-8-fluoro-3-(4-fluorophenylsulfo
    Show More

    Mol. Formula:
    C21H12ClF2NO2S

    M.W.:
    415.85

    Type:
    Small molecule

    AlogP:
    5.67

    Polar Surface Area:
    47.03

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  2. ALA4099364

    Name:
    NA

    Mol. Formula:

    M.W.:

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA4099255

    Name:
    (S)-1,1,1,3,3,3-Hexafluoropropan-2-yl-7-((2)H3)-me
    Show More

    Mol. Formula:
    C19H15F6N3O4

    M.W.:
    466.35

    Type:
    Small molecule

    AlogP:
    3.82

    Polar Surface Area:
    73.66

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  4. ALA4099244

    Name:
    N-(1H-Benzo[d]imidazol-2-yl)-5-isopropylisoxazole-
    Show More

    Mol. Formula:
    C14H14N4O2

    M.W.:
    270.29

    Type:
    Small molecule

    AlogP:
    2.93

    Polar Surface Area:
    83.81

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  5. ALA4099187

    Name:
    4-((1-((R)-1-(difluoromethoxy)propan-2-yl)-7-(3,5-
    Show More

    Mol. Formula:
    C25H29F2N5O4

    M.W.:
    501.53

    Type:
    Small molecule

    AlogP:
    4.50

    Polar Surface Area:
    87.67

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  6. ALA4099115

    Name:
    1-[2-(2-Fluorophenyl)-4-(4-methoxybenzyl)-4H-thien
    Show More

    Mol. Formula:
    C30H32FN3O3S

    M.W.:
    533.67

    Type:
    Small molecule

    AlogP:
    5.94

    Polar Surface Area:
    63.57

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  7. ALA4099016

    Name:
    3-(3,5-difluorophenylsulfonyl)-7-fluoro-4-(3-metho
    Show More

    Mol. Formula:
    C22H14F3NO3S

    M.W.:
    429.42

    Type:
    Small molecule

    AlogP:
    5.16

    Polar Surface Area:
    56.26

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  8. ALA4098908

    Name:
    Ethyl 5-((1H-pyrrolo[2,3-b]pyridin-3-yl)methylene)
    Show More

    Mol. Formula:
    C21H17N3O4

    M.W.:
    375.38

    Type:
    Small molecule

    AlogP:
    3.31

    Polar Surface Area:
    93.31

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  9. ALA4098685

    Name:
    [14C]-6-tert-butyl-2-(2-(hydroxymethyl)-3-(1-methy
    Show More

    Mol. Formula:
    C36H39N5O5

    M.W.:
    623.73

    Type:
    Small molecule

    AlogP:
    4.66

    Polar Surface Area:
    117.00

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  10. ALA4098316

    Name:
    7-fluoro-4-(3-fluorophenyl)-3-(4-fluorophenylsulfo
    Show More

    Mol. Formula:
    C21H12F3NO2S

    M.W.:
    399.39

    Type:
    Small molecule

    AlogP:
    5.15

    Polar Surface Area:
    47.03

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  11. ALA4097976

    Name:
    2-(2-Cyclohexyl-2-cyclopentylethyl)piperidine

    Mol. Formula:
    C18H33N

    M.W.:
    263.47

    Type:
    Small molecule

    AlogP:
    4.91

    Polar Surface Area:
    12.03

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  12. ALA4097970

    Name:
    1-(2-Chloro-3'-fluoro-5-methoxy-[1,1'-biphenyl]-4-
    Show More

    Mol. Formula:
    C25H18ClFN4O5S

    M.W.:
    540.96

    Type:
    Small molecule

    AlogP:
    4.86

    Polar Surface Area:
    116.32

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  13. ALA4097813

    Name:
    7-fluoro-4-(4-fluorophenyl)-3-(3-fluorophenylsulfo
    Show More

    Mol. Formula:
    C21H12F3NO2S

    M.W.:
    399.39

    Type:
    Small molecule

    AlogP:
    5.15

    Polar Surface Area:
    47.03

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  14. ALA4097665

    Name:
    7-methoxy-2-(4-methoxyphenyl)-2H-pyrazolo[4,3-c][1
    Show More

    Mol. Formula:
    C17H14N4O3

    M.W.:
    322.32

    Type:
    Small molecule

    AlogP:
    2.23

    Polar Surface Area:
    82.03

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  15. ALA4097662

    Name:
    7-fluoro-4-(4-methoxyphenyl)-3-(4-methoxyphenylsul
    Show More

    Mol. Formula:
    C23H18FNO4S

    M.W.:
    423.47

    Type:
    Small molecule

    AlogP:
    4.89

    Polar Surface Area:
    65.49

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  16. ALA4097557

    Name:
    2-(2-Cyclohexyl-2-(tetrahydro-2H-pyran-4-yl)ethyl)
    Show More

    Mol. Formula:
    C18H33NO

    M.W.:
    279.47

    Type:
    Small molecule

    AlogP:
    4.14

    Polar Surface Area:
    21.26

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  17. ALA4097400

    Name:
    3-(7-fluoro-4-(3-fluorophenyl)quinolin-3-ylsulfony
    Show More

    Mol. Formula:
    C22H12F2N2O2S

    M.W.:
    406.41

    Type:
    Small molecule

    AlogP:
    4.88

    Polar Surface Area:
    70.82

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  18. ALA4097363

    Name:
    5-[5-(Azidomethyl)-1,3,4-oxadiazol-2-yl]-2-benzylt
    Show More

    Mol. Formula:
    C16H13ClN6O3S2

    M.W.:
    436.91

    Type:
    Small molecule

    AlogP:
    4.14

    Polar Surface Area:
    147.84

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  19. ALA4097204

    Name:
    6-tert-butyl-8-fluoro-2-(3-(hydroxymethyl)-4-(1-me
    Show More

    Mol. Formula:
    C30H29FN6O5S

    M.W.:
    604.66

    Type:
    Small molecule

    AlogP:
    3.62

    Polar Surface Area:
    149.07

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  20. ALA4097199

    Name:
    2-Benzylthio-4-chloro-5-{5-[(4-phenylpiperazin-1-y
    Show More

    Mol. Formula:
    C26H26ClN5O3S2

    M.W.:
    556.11

    Type:
    Small molecule

    AlogP:
    4.65

    Polar Surface Area:
    105.56

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
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