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  1. ALA1089956

    Name:
    5-Furan-2-yl-7,8,9,10-tetrahydro-6H-12-thia-2,4,11
    Show More

    Mol. Formula:
    C18H16N4OS

    M.W.:
    336.42

    Type:
    Small molecule

    AlogP:
    4.35

    Polar Surface Area:
    77.83

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  2. ALA1094018

    Name:
    2-(4-chlorophenyl)-10-thia-5,7,12-triazatetracyclo
    Show More

    Mol. Formula:
    C22H21ClN4S

    M.W.:
    408.96

    Type:
    Small molecule

    AlogP:
    6.19

    Polar Surface Area:
    64.69

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  3. ALA1091783

    Name:
    2-(1-benzofuran-2-yl)-10-thia-5,7,12-triazatetracy
    Show More

    Mol. Formula:
    C24H22N4OS

    M.W.:
    414.53

    Type:
    Small molecule

    AlogP:
    6.28

    Polar Surface Area:
    77.83

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  4. ALA1091450

    Name:
    2-(furan-2-yl)-10-thia-5,7,12-triazatetracyclo[11.
    Show More

    Mol. Formula:
    C20H20N4OS

    M.W.:
    364.47

    Type:
    Small molecule

    AlogP:
    5.13

    Polar Surface Area:
    77.83

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  5. ALA1091449

    Name:
    10-thia-5,7,12-triazatetracyclo[11.7.0.0^{3,11}.0^
    Show More

    Mol. Formula:
    C16H18N4S

    M.W.:
    298.42

    Type:
    Small molecule

    AlogP:
    3.87

    Polar Surface Area:
    64.69

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  6. ALA1089298

    Name:
    3-amino-6-(cyclohexylmethyl)-4-(furan-2-yl)thieno[
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    Mol. Formula:
    C19H21N3O2S

    M.W.:
    355.46

    Type:
    Small molecule

    AlogP:
    4.36

    Polar Surface Area:
    95.14

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  7. ALA1092769

    Name:
    3-amino-6-(2,4-dimethoxybenzyl)-4-(furan-2-yl)thie
    Show More

    Mol. Formula:
    C21H19N3O4S

    M.W.:
    409.47

    Type:
    Small molecule

    AlogP:
    3.85

    Polar Surface Area:
    113.60

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  8. ALA1090013

    Name:
    3-amino-6-(2,4-dimethoxyphenyl)-4-(furan-2-yl)thie
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    Mol. Formula:
    C20H17N3O4S

    M.W.:
    395.44

    Type:
    Small molecule

    AlogP:
    3.92

    Polar Surface Area:
    113.60

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  9. ALA1093095

    Name:
    3-amino-4-(furan-2-yl)-5,6,7,8,9,10,11,12-octahydr
    Show More

    Mol. Formula:
    C20H23N3O2S

    M.W.:
    369.49

    Type:
    Small molecule

    AlogP:
    4.68

    Polar Surface Area:
    95.14

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  10. Type:
    Small molecule

    AlogP:
    4.29

    Polar Surface Area:
    95.14

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  11. ALA1093963

    Name:
    3-amino-4-(furan-2-yl)-6,7,8,9-tetrahydro-5H-cyclo
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    Mol. Formula:
    C17H17N3O2S

    M.W.:
    327.41

    Type:
    Small molecule

    AlogP:
    3.51

    Polar Surface Area:
    95.14

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  12. ALA1092819

    Name:
    rac-3-amino-4-(furan-2-yl)-8-methyl-5,6,7,8-tetrah
    Show More

    Mol. Formula:
    C17H17N3O2S

    M.W.:
    327.41

    Type:
    Small molecule

    AlogP:
    3.68

    Polar Surface Area:
    95.14

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  13. ALA1089712

    Name:
    methyl 5-(3-amino-2-carbamoyl-5,6,7,8,9,10-hexahyd
    Show More

    Mol. Formula:
    C21H23N3O4S

    M.W.:
    413.50

    Type:
    Small molecule

    AlogP:
    3.99

    Polar Surface Area:
    121.44

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  14. ALA1091460

    Name:
    3-amino-4-(4,5-dimethylfuran-2-yl)-5,6,7,8,9,10-he
    Show More

    Mol. Formula:
    C20H23N3O2S

    M.W.:
    369.49

    Type:
    Small molecule

    AlogP:
    4.51

    Polar Surface Area:
    95.14

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  15. ALA1091459

    Name:
    3-amino-4-(5-(hydroxymethyl)furan-2-yl)-5,6,7,8,9,
    Show More

    Mol. Formula:
    C19H21N3O3S

    M.W.:
    371.46

    Type:
    Small molecule

    AlogP:
    3.39

    Polar Surface Area:
    115.37

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  16. ALA1091075

    Name:
    3-amino-4-(5-ethylfuran-2-yl)-5,6,7,8,9,10-hexahyd
    Show More

    Mol. Formula:
    C20H23N3O2S

    M.W.:
    369.49

    Type:
    Small molecule

    AlogP:
    4.46

    Polar Surface Area:
    95.14

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  17. ALA1091074

    Name:
    3-amino-4-(benzofuran-2-yl)-5,6,7,8,9,10-hexahydro
    Show More

    Mol. Formula:
    C22H21N3O2S

    M.W.:
    391.50

    Type:
    Small molecule

    AlogP:
    5.05

    Polar Surface Area:
    95.14

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  18. ALA1089019

    Name:
    3-amino-4-(5-(trifluoromethyl)furan-2-yl)-5,6,7,8,
    Show More

    Mol. Formula:
    C19H18F3N3O2S

    M.W.:
    409.43

    Type:
    Small molecule

    AlogP:
    4.92

    Polar Surface Area:
    95.14

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  19. ALA1094026

    Name:
    3-amino-4-(5-chlorofuran-2-yl)-5,6,7,8,9,10-hexahy
    Show More

    Mol. Formula:
    C18H18ClN3O2S

    M.W.:
    375.88

    Type:
    Small molecule

    AlogP:
    4.55

    Polar Surface Area:
    95.14

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  20. ALA1090391

    Name:
    3-amino-4-phenethyl-5,6,7,8,9,10-hexahydrocyclooct
    Show More

    Mol. Formula:
    C22H25N3OS

    M.W.:
    379.53

    Type:
    Small molecule

    AlogP:
    4.42

    Polar Surface Area:
    82.00

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
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