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  1. ALA4866043

    Name:
    3-((1R,3R)-1-(2,6-Difluoro-4-((1-(3-fluoropropyl)a
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    Mol. Formula:
    C27H30F6N4O

    M.W.:
    540.55

    Type:
    Unknown

    AlogP:
    5.00

    Polar Surface Area:
    54.53

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  2. ALA1098244

    Name:
    methyl 4-(6-{4-[(anilinocarbonyl)amino]phenyl}-4-m
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    Mol. Formula:
    C29H32N8O4

    M.W.:
    556.63

    Type:
    Small molecule

    AlogP:
    4.38

    Polar Surface Area:
    126.74

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  3. ALA1098243

    Name:
    tert-butyl 4-(6-{4-[(cyclopropylcarbamoyl)amino]ph
    Show More

    Mol. Formula:
    C29H38N8O4

    M.W.:
    562.68

    Type:
    Small molecule

    AlogP:
    4.19

    Polar Surface Area:
    126.74

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  4. ALA1097942

    Name:
    isopropyl 4-(6-{4-[(cyclopropylcarbamoyl)amino]phe
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    Mol. Formula:
    C28H36N8O4

    M.W.:
    548.65

    Type:
    Small molecule

    AlogP:
    3.80

    Polar Surface Area:
    126.74

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  5. ALA1098242

    Name:
    tert-butyl 4-[6-(4-{[(2-fluoroethyl)carbamoyl]amin
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    Mol. Formula:
    C28H37FN8O4

    M.W.:
    568.65

    Type:
    Small molecule

    AlogP:
    3.99

    Polar Surface Area:
    126.74

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  6. ALA1094981

    Name:
    isopropyl 4-[6-(4-{[(2-fluoroethyl)carbamoyl]amino
    Show More

    Mol. Formula:
    C27H35FN8O4

    M.W.:
    554.63

    Type:
    Small molecule

    AlogP:
    3.60

    Polar Surface Area:
    126.74

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  7. ALA1095932

    Name:
    Isopropyl 4-(6-(4-(3-Methylureido)phenyl)-4-morpho
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    Mol. Formula:
    C26H34N8O4

    M.W.:
    522.61

    Type:
    Small molecule

    AlogP:
    3.26

    Polar Surface Area:
    126.74

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  8. ALA1078464

    Name:
    N-(4-fluorophenyl)-5-((2,3,4,5-tetrahydro-1H-benzo
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    Mol. Formula:
    C22H22FN3O2S

    M.W.:
    411.50

    Type:
    Small molecule

    AlogP:
    3.63

    Polar Surface Area:
    71.09

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  9. ALA1078463

    Name:
    7-((6-(piperidin-1-yl)pyridin-3-ylsulfonyl)methyl)
    Show More

    Mol. Formula:
    C21H27N3O2S

    M.W.:
    385.53

    Type:
    Small molecule

    AlogP:
    2.73

    Polar Surface Area:
    62.30

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  10. ALA1078461

    Name:
    7-((6-isopropoxypyridin-3-ylsulfonyl)methyl)-2,3,4
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    Mol. Formula:
    C19H24N2O3S

    M.W.:
    360.48

    Type:
    Small molecule

    AlogP:
    2.53

    Polar Surface Area:
    68.29

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  11. ALA1078555

    Name:
    7-((6-(4-fluorophenoxy)pyridin-3-ylsulfonyl)methyl
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    Mol. Formula:
    C22H21FN2O3S

    M.W.:
    412.49

    Type:
    Small molecule

    AlogP:
    3.68

    Polar Surface Area:
    68.29

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  12. ALA1078268

    Name:
    7-((6-(4-fluorophenyl)pyridin-3-ylsulfonyl)methyl)
    Show More

    Mol. Formula:
    C22H21FN2O2S

    M.W.:
    396.49

    Type:
    Small molecule

    AlogP:
    3.55

    Polar Surface Area:
    59.06

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  13. ALA1078267

    Name:
    7-((6-(4-chlorophenyl)pyridin-3-ylsulfonyl)methyl)
    Show More

    Mol. Formula:
    C22H21ClN2O2S

    M.W.:
    412.94

    Type:
    Small molecule

    AlogP:
    4.06

    Polar Surface Area:
    59.06

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  14. ALA1077991

    Name:
    7-((3',4'-difluorobiphenyl-4-ylsulfonyl)methyl)-2,
    Show More

    Mol. Formula:
    C23H21F2NO2S

    M.W.:
    413.49

    Type:
    Small molecule

    AlogP:
    4.29

    Polar Surface Area:
    46.17

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  15. ALA1078345

    Name:
    7-((4'-fluorobiphenyl-4-ylsulfonyl)methyl)-2,3,4,5
    Show More

    Mol. Formula:
    C23H22FNO2S

    M.W.:
    395.50

    Type:
    Small molecule

    AlogP:
    4.15

    Polar Surface Area:
    46.17

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  16. ALA1078344

    Name:
    7-((4'-chlorobiphenyl-4-ylsulfonyl)methyl)-2,3,4,5
    Show More

    Mol. Formula:
    C23H22ClNO2S

    M.W.:
    411.95

    Type:
    Small molecule

    AlogP:
    4.67

    Polar Surface Area:
    46.17

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  17. ALA1077735

    Name:
    4-(5-((2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yl)m
    Show More

    Mol. Formula:
    C20H25N3O3S

    M.W.:
    387.51

    Type:
    Small molecule

    AlogP:
    1.58

    Polar Surface Area:
    71.53

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  18. ALA1078492

    Name:
    N-(3-((1H-pyrazol-3-yl)methyl)-2,3,4,5-tetrahydro-
    Show More

    Mol. Formula:
    C23H23N5O2S2

    M.W.:
    465.60

    Type:
    Small molecule

    AlogP:
    3.93

    Polar Surface Area:
    90.98

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  19. ALA1078490

    Name:
    N-(3-((1H-pyrazol-3-yl)methyl)-2,3,4,5-tetrahydro-
    Show More

    Mol. Formula:
    C25H30N4O3S

    M.W.:
    466.61

    Type:
    Small molecule

    AlogP:
    3.91

    Polar Surface Area:
    87.32

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  20. ALA1078208

    Name:
    N-(3-((1H-pyrazol-3-yl)methyl)-2,3,4,5-tetrahydro-
    Show More

    Mol. Formula:
    C23H28N4O3S

    M.W.:
    440.57

    Type:
    Small molecule

    AlogP:
    3.60

    Polar Surface Area:
    87.32

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
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