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  1. ALA4483668

    Name:
    N-(5-((4-Nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)i
    Show More

    Mol. Formula:
    C15H11N5O3S2

    M.W.:
    373.42

    Type:
    Unknown

    AlogP:
    3.39

    Polar Surface Area:
    110.91

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  2. ALA4474465

    Name:
    Terrelumamide A

    Mol. Formula:
    C20H20N6O7

    M.W.:
    456.42

    Type:
    Unknown

    AlogP:
    -1.08

    Polar Surface Area:
    185.37

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  3. ALA4524213

    Name:
    5-(7-nitrobenzo[c][1,2,5]oxadiazol-4-ylthio)-1,3,4
    Show More

    Mol. Formula:
    C8H4N6O3S2

    M.W.:
    296.29

    Type:
    Unknown

    AlogP:
    1.72

    Polar Surface Area:
    133.86

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  4. ALA4521891

    Name:
    N-(5-((3-Nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)f
    Show More

    Mol. Formula:
    C14H10N4O4S2

    M.W.:
    362.39

    Type:
    Unknown

    AlogP:
    3.58

    Polar Surface Area:
    111.16

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  5. ALA4521808

    Name:
    2-oxo-N'-phenylpropanehydrazonoyl cyanide

    Mol. Formula:
    C10H9N3O

    M.W.:
    187.20

    Type:
    Unknown

    AlogP:
    1.57

    Polar Surface Area:
    65.25

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  6. ALA4520644

    Name:
    4-(5-((4-Nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)m
    Show More

    Mol. Formula:
    C13H14N4O3S2

    M.W.:
    338.41

    Type:
    Unknown

    AlogP:
    2.58

    Polar Surface Area:
    81.39

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  7. ALA4552582

    Name:
    ethyl 2-(2-(2,6-difluorophenyl)hydrazono)-3-(1-eth
    Show More

    Mol. Formula:
    C17H18F2N4O3

    M.W.:
    364.35

    Type:
    Unknown

    AlogP:
    2.70

    Polar Surface Area:
    85.58

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  8. ALA4527000

    Name:
    4-(5-((3-Nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)m
    Show More

    Mol. Formula:
    C13H14N4O3S2

    M.W.:
    338.41

    Type:
    Unknown

    AlogP:
    2.58

    Polar Surface Area:
    81.39

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  9. ALA4517713

    Name:
    3-oxo-2-(2-phenylhydrazono)butanoic acid

    Mol. Formula:
    C10H10N2O3

    M.W.:
    206.20

    Type:
    Unknown

    AlogP:
    1.13

    Polar Surface Area:
    78.76

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  10. ALA4516002

    Name:
    N-(5-((3-Nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)i
    Show More

    Mol. Formula:
    C15H11N5O3S2

    M.W.:
    373.42

    Type:
    Unknown

    AlogP:
    3.39

    Polar Surface Area:
    110.91

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  11. ALA4548402

    Name:
    (4-bromo-3,5-dichloro-1H-pyrrol-2-yl)(3,5-dichloro
    Show More

    Mol. Formula:
    C11H4BrCl4NO2

    M.W.:
    403.87

    Type:
    Unknown

    AlogP:
    5.33

    Polar Surface Area:
    53.09

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  12. ALA4575457

    Name:
    5-(Phenylthio)-1,3,4-thiadiazol-2-amine

    Mol. Formula:
    C8H7N3S2

    M.W.:
    209.30

    Type:
    Unknown

    AlogP:
    2.27

    Polar Surface Area:
    51.80

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  13. ALA4573199

    Name:
    5-((3-Nitrophenethyl)thio)-1,3,4-thiadiazol-2-amin
    Show More

    Mol. Formula:
    C10H10N4O2S2

    M.W.:
    282.35

    Type:
    Unknown

    AlogP:
    2.36

    Polar Surface Area:
    94.94

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  14. ALA4577169

    Name:
    2-((4-Nitrobenzyl)thio)-5-(piperazin-1-yl)-1,3,4-t
    Show More

    Mol. Formula:
    C13H15N5O2S2

    M.W.:
    337.43

    Type:
    Unknown

    AlogP:
    2.15

    Polar Surface Area:
    84.19

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  15. ALA4590984

    Name:
    N-(5-((4-Nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)n
    Show More

    Mol. Formula:
    C15H11N5O3S2

    M.W.:
    373.42

    Type:
    Unknown

    AlogP:
    3.39

    Polar Surface Area:
    110.91

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  16. ALA4585170

    Name:
    2-(2-(3,4-dichlorophenyl)hydrazono)-3-oxobutanoic
    Show More

    Mol. Formula:
    C10H8Cl2N2O3

    M.W.:
    275.09

    Type:
    Unknown

    AlogP:
    2.43

    Polar Surface Area:
    78.76

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  17. ALA4582647

    Name:
    N-(5-((3-Nitrobenzyl)thio)-1,3,4-thiadiazol-2-yl)n
    Show More

    Mol. Formula:
    C15H11N5O3S2

    M.W.:
    373.42

    Type:
    Unknown

    AlogP:
    3.39

    Polar Surface Area:
    110.91

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  18. ALA5282650

    Name:
    2-(Ethyldisulfaneyl)-N-(2-oxo-2-((3-phenoxyphenyl)
    Show More

    Mol. Formula:
    C23H22N2O3S2

    M.W.:
    438.57

    Type:
    ---

    AlogP:
    5.61

    Polar Surface Area:
    67.43

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  19. ALA5282165

    Name:
    ((3,3,3-trifluoroprop-1-en-1-yl)sulfonyl)benzene

    Mol. Formula:
    C9H7F3O2S

    M.W.:
    236.21

    Type:
    ---

    AlogP:
    2.54

    Polar Surface Area:
    34.14

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.79

    DETAILS
  20. ALA5281696

    Name:
    ethyl 2-(2-(3,4-dichlorophenyl)hydrazineylidene)-3
    Show More

    Mol. Formula:
    C17H18Cl2N4O3

    M.W.:
    397.26

    Type:
    ---

    AlogP:
    3.73

    Polar Surface Area:
    85.58

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
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