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  1. ALA4872093

    Name:
    6-(2-(4-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,
    Show More

    Mol. Formula:
    C28H27F3N8O2S2

    M.W.:
    628.71

    Type:
    Unknown

    AlogP:
    3.19

    Polar Surface Area:
    97.24

    HBA:
    12

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  2. ALA3735849

    Name:
    2-(2,4-Difluorophenyl)-1-(4-(5-(furan-2-yl)-1,3,4-
    Show More

    Mol. Formula:
    C22H22F2N6O3

    M.W.:
    456.45

    Type:
    Small molecule

    AlogP:
    2.97

    Polar Surface Area:
    106.24

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  3. ALA3734922

    Name:
    2-(2,4-Difluorophenyl)-1-(4-(5-(naphthalen-1-yl)-1
    Show More

    Mol. Formula:
    C28H26F2N6O2

    M.W.:
    516.55

    Type:
    Small molecule

    AlogP:
    4.53

    Polar Surface Area:
    93.10

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  4. ALA3735514

    Name:
    2-(2,4-Difluorophenyl)-1-(4-(5-(pyridin-4-yl)-1,3,
    Show More

    Mol. Formula:
    C23H23F2N7O2

    M.W.:
    467.48

    Type:
    Small molecule

    AlogP:
    2.77

    Polar Surface Area:
    105.99

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  5. ALA3734898

    Name:
    2-(2,4-Difluorophenyl)-1-(4-(5-(4-ethylphenyl)-1,3
    Show More

    Mol. Formula:
    C26H28F2N6O2

    M.W.:
    494.55

    Type:
    Small molecule

    AlogP:
    3.94

    Polar Surface Area:
    93.10

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  6. ALA3734818

    Name:
    1-(4-(5-(4-Chlorophenyl)-1,3,4-oxadiazol-2-yl)pipe
    Show More

    Mol. Formula:
    C24H23ClF2N6O2

    M.W.:
    500.94

    Type:
    Small molecule

    AlogP:
    4.03

    Polar Surface Area:
    93.10

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  7. ALA3736334

    Name:
    2-(2,4-Difluorophenyl)-1-(4-(5-(m-tolyl)-1,3,4-oxa
    Show More

    Mol. Formula:
    C25H26F2N6O2

    M.W.:
    480.52

    Type:
    Small molecule

    AlogP:
    3.68

    Polar Surface Area:
    93.10

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  8. ALA3736348

    Name:
    2-(2,4-Difluorophenyl)-1-(4-(5-(4-fluorophenyl)-1,
    Show More

    Mol. Formula:
    C24H23F3N6O2

    M.W.:
    484.48

    Type:
    Small molecule

    AlogP:
    3.51

    Polar Surface Area:
    93.10

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  9. ALA3736434

    Name:
    2-(2,4-Difluorophenyl)-1-(1H-1,2,4-triazol-1-yl)-3
    Show More

    Mol. Formula:
    C25H23F5N6O2

    M.W.:
    534.49

    Type:
    Small molecule

    AlogP:
    4.39

    Polar Surface Area:
    93.10

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  10. ALA3736355

    Name:
    2-(2,4-Difluorophenyl)-1-(4-(5-(4-methoxyphenyl)-1
    Show More

    Mol. Formula:
    C25H26F2N6O3

    M.W.:
    496.52

    Type:
    Small molecule

    AlogP:
    3.38

    Polar Surface Area:
    102.33

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  11. ALA3734993

    Name:
    2-(2,4-Difluorophenyl)-1-(4-(5-(o-tolyl)-1,3,4-oxa
    Show More

    Mol. Formula:
    C25H26F2N6O2

    M.W.:
    480.52

    Type:
    Small molecule

    AlogP:
    3.68

    Polar Surface Area:
    93.10

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  12. ALA3735896

    Name:
    2-(2,4-Difluorophenyl)-1-(4-(5-(2-fluorophenyl)-1,
    Show More

    Mol. Formula:
    C24H23F3N6O2

    M.W.:
    484.48

    Type:
    Small molecule

    AlogP:
    3.51

    Polar Surface Area:
    93.10

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  13. ALA3735705

    Name:
    2-(2,4-Difluorophenyl)-1-(4-(5-(2,6-difluorophenyl
    Show More

    Mol. Formula:
    C24H22F4N6O2

    M.W.:
    502.47

    Type:
    Small molecule

    AlogP:
    3.65

    Polar Surface Area:
    93.10

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  14. ALA3735141

    Name:
    2-(2,4-Difluorophenyl)-1-(4-(5-phenyl-1,3,4-oxadia
    Show More

    Mol. Formula:
    C24H24F2N6O2

    M.W.:
    466.49

    Type:
    Small molecule

    AlogP:
    3.37

    Polar Surface Area:
    93.10

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  15. ALA3735599

    Name:
    2-(2,4-Difluorophenyl)-1-(4-(5-(pyridin-3-yl)-1,3,
    Show More

    Mol. Formula:
    C23H23F2N7O2

    M.W.:
    467.48

    Type:
    Small molecule

    AlogP:
    2.77

    Polar Surface Area:
    105.99

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  16. ALA4764856

    Name:
    Ibrexafungerp

    Mol. Formula:
    C43H65N5O4

    M.W.:
    716.02

    Type:
    Unknown

    AlogP:
    8.23

    Polar Surface Area:
    125.38

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  17. ALA5220541

    Name:
    2-(4-nitrobenzylideneamino)thiophene-3-carbonitril
    Show More

    Cas Number:
    343374-99-2

    Mol. Formula:
    C12H7N3O2S

    M.W.:
    257.27

    Type:
    ---

    AlogP:
    3.28

    Polar Surface Area:
    79.29

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  18. ALA5220393

    Name:
    2-(2-nitrobenzylideneamino)thiophene-3-carbonitril
    Show More

    Mol. Formula:
    C12H7N3O2S

    M.W.:
    257.27

    Type:
    ---

    AlogP:
    3.28

    Polar Surface Area:
    79.29

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  19. ALA5208307

    Name:
    4-[5-[4-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-
    Show More

    Mol. Formula:
    C31H30F5N9O2

    M.W.:
    655.63

    Type:
    ---

    AlogP:
    3.46

    Polar Surface Area:
    110.13

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  20. ALA5205603

    Name:
    4-[5-[4-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-
    Show More

    Mol. Formula:
    C31H30F5N9O3

    M.W.:
    671.63

    Type:
    ---

    AlogP:
    3.34

    Polar Surface Area:
    119.36

    HBA:
    12

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
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