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  1. ALA4860546

    Name:
    1-(2-(5-(4-(4-Ammoniumbutyl)-1H-1,2,3-triazol-1-yl
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    Mol. Formula:
    C31H35F3N8O4S

    M.W.:
    672.73

    Type:
    Unknown

    AlogP:
    4.10

    Polar Surface Area:
    123.22

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  2. ALA4859916

    Name:
    1-(2-(2-(4-(2-([1,1'-Biphenyl]-4-yl)ethyl)thiazol-
    Show More

    Mol. Formula:
    C35H36F3N7O4S

    M.W.:
    707.78

    Type:
    Unknown

    AlogP:
    5.14

    Polar Surface Area:
    111.19

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  3. ALA4859330

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

    Mol. Formula:
    C30H32F3N7O5S

    M.W.:
    659.69

    Type:
    Unknown

    AlogP:
    3.68

    Polar Surface Area:
    120.42

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  4. ALA4879323

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

    Mol. Formula:
    C30H34F3N7O4S

    M.W.:
    645.71

    Type:
    Unknown

    AlogP:
    3.86

    Polar Surface Area:
    111.19

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  5. ALA4879027

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

    Mol. Formula:
    C40H38F3N7O4S

    M.W.:
    769.85

    Type:
    Unknown

    AlogP:
    7.08

    Polar Surface Area:
    111.19

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  6. ALA4878679

    Name:
    4-(1-(3-(2-(2-oxoimidazolidin-1-yl)ethoxy)-4-(4-ph
    Show More

    Mol. Formula:
    C28H30N6O4S

    M.W.:
    546.65

    Type:
    Unknown

    AlogP:
    3.99

    Polar Surface Area:
    122.47

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  7. ALA4874521

    Name:
    (S)-2-((2S,3S)-2-((2S,3S)-2-((S)-6-amino-2-((S)-py
    Show More

    Mol. Formula:
    C65H119N17O16

    M.W.:
    1394.77

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA4874435

    Name:
    1-(2-(2-(4-(2-([4-Phenyloxyphenyl]-1-yl)ethyl)-5-p
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    Mol. Formula:
    C42H42F3N7O5S

    M.W.:
    813.90

    Type:
    Unknown

    AlogP:
    7.32

    Polar Surface Area:
    120.42

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  9. ALA4848972

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

    Mol. Formula:
    C27H36F3N7O4S

    M.W.:
    611.69

    Type:
    Unknown

    AlogP:
    3.66

    Polar Surface Area:
    111.19

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  10. ALA4848781

    Name:
    1-(2-(5-(2-((2-aminoethylamino)methyl)-1H-imidazol
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    Mol. Formula:
    C32H35N7O2S

    M.W.:
    581.75

    Type:
    Unknown

    AlogP:
    4.39

    Polar Surface Area:
    110.33

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  11. ALA4848711

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

    Mol. Formula:
    C34H36N6O2S

    M.W.:
    592.77

    Type:
    Unknown

    AlogP:
    6.59

    Polar Surface Area:
    85.17

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  12. ALA4848544

    Name:
    1-(2-(2-(4-(2-([1,1'-Biphenyl]-4-yl)ethyl)thiazol-
    Show More

    Mol. Formula:
    C36H38F3N7O4S

    M.W.:
    721.81

    Type:
    Unknown

    AlogP:
    5.53

    Polar Surface Area:
    111.19

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  13. ALA4848230

    Name:
    4-(1-(3-Methoxy-4-(4-phenethylthiazol-2-yl)phenyl)
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    Mol. Formula:
    C26H28F3N5O3S

    M.W.:
    547.60

    Type:
    Unknown

    AlogP:
    4.47

    Polar Surface Area:
    78.85

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  14. ALA5282364

    Name:
    3-(2-(5-(5-(((2-aminoethyl)amino)methyl)-1H-imidaz
    Show More

    Mol. Formula:
    C32H35N7O2S

    M.W.:
    581.75

    Type:
    ---

    AlogP:
    3.75

    Polar Surface Area:
    110.33

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  15. ALA5281063

    Name:
    4-(4-aminobutyl)-3-methyl-1-(3-(2-(2-oxoimidazolid
    Show More

    Mol. Formula:
    C42H41F6N7O8S2

    M.W.:
    949.95

    Type:
    ---

    AlogP:
    6.63

    Polar Surface Area:
    111.41

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  16. ALA5280860

    Name:
    4-(4-aminobutyl)-1-(4-(4-(2-(2,3-dihydrobenzofuran
    Show More

    Mol. Formula:
    C34H39F6N7O8S2

    M.W.:
    851.85

    Type:
    ---

    AlogP:
    3.44

    Polar Surface Area:
    111.41

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  17. ALA5279478

    Name:
    1-(4-(4-(2-([1,1'-biphenyl]-4-yl)ethyl)thiazol-2-y
    Show More

    Mol. Formula:
    C34H35F6N5O6S2

    M.W.:
    787.81

    Type:
    ---

    AlogP:
    5.56

    Polar Surface Area:
    69.84

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  18. ALA5278754

    Name:
    4-(4-Ammoniobutyl)-1-(4-(4,5-diphenylthiazol-2-yl)
    Show More

    Mol. Formula:
    C36H37F6N7O7S2

    M.W.:
    857.86

    Type:
    ---

    AlogP:
    4.84

    Polar Surface Area:
    102.18

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  19. ALA5278650

    Name:
    4-(4-ammoniobutyl)-1-(3-methoxy-4-(4-phenethylthia
    Show More

    Mol. Formula:
    C28H31F6N5O6S2

    M.W.:
    711.71

    Type:
    ---

    AlogP:
    3.90

    Polar Surface Area:
    69.84

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  20. ALA4864964

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

    Mol. Formula:
    C40H38F3N7O5S

    M.W.:
    785.85

    Type:
    Unknown

    AlogP:
    7.20

    Polar Surface Area:
    120.42

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
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