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  1. ALA4476280

    Name:
    N-(3-(1H-imidazol-1-yl)propyl)-2-(4-oxo-1-phenyl-1
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    Cas Number:
    941957-96-6

    Mol. Formula:
    C21H21N7O2S

    M.W.:
    435.51

    Type:
    Unknown

    AlogP:
    2.02

    Polar Surface Area:
    99.63

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  2. ALA4475593

    Name:
    1-(4-(5-((2-Chlorophenyl)thio)-4,6-dioxo-2-(thioph
    Show More

    Mol. Formula:
    C27H24ClN3O2S2

    M.W.:
    522.10

    Type:
    Unknown

    AlogP:
    6.47

    Polar Surface Area:
    76.36

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  3. ALA4475383

    Name:
    7-methoxy-5-oxo-N-(3,4,5-trimethoxybenzyl)-1,2,3,5
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    Cas Number:
    2034513-90-9

    Mol. Formula:
    C20H24N2O6

    M.W.:
    388.42

    Type:
    Unknown

    AlogP:
    1.76

    Polar Surface Area:
    88.02

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  4. ALA4536094

    Name:
    3-((2-Chlorophenyl)thio)-6-(4-(1,1-dioxidothiomorp
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    Mol. Formula:
    C25H23ClN2O4S3

    M.W.:
    547.12

    Type:
    Unknown

    AlogP:
    4.96

    Polar Surface Area:
    86.71

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  5. ALA4522422

    Name:
    3-(2-chlorophenylthio)-6-(2-fluorophenyl)-4-hydrox
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    Mol. Formula:
    C21H15ClFNO2S2

    M.W.:
    431.94

    Type:
    Unknown

    AlogP:
    5.87

    Polar Surface Area:
    49.33

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  6. ALA4521960

    Name:
    3-(2-chlorophenylthio)-4-hydroxy-6-(4-hydroxypheny
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    Mol. Formula:
    C21H16ClNO3S2

    M.W.:
    429.95

    Type:
    Unknown

    AlogP:
    5.43

    Polar Surface Area:
    69.56

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  7. ALA4520899

    Name:
    rac-3-(2-chlorophenylthio)-4-hydroxy-6-(4-(piperid
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    Mol. Formula:
    C26H25ClN2O2S2

    M.W.:
    497.09

    Type:
    Unknown

    AlogP:
    6.72

    Polar Surface Area:
    52.57

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  8. ALA4534918

    Name:
    3-((2-Chlorophenyl)thio)-6-(4-(2,6-dimethylmorphol
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    Mol. Formula:
    C27H27ClN2O3S2

    M.W.:
    527.11

    Type:
    Unknown

    AlogP:
    6.34

    Polar Surface Area:
    61.80

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  9. ALA4557701

    Name:
    6-(4-(2-Oxa-7-azaspiro[3.5]nonan-7-yl)phenyl)-3-((
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    Mol. Formula:
    C28H27ClN2O3S2

    M.W.:
    539.12

    Type:
    Unknown

    AlogP:
    6.34

    Polar Surface Area:
    61.80

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  10. ALA4556577

    Name:
    2-(3-cyano-4,6-bis(4-methoxyphenyl)pyridin-2-ylthi
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    Mol. Formula:
    C30H27N3O3S

    M.W.:
    509.63

    Type:
    Unknown

    AlogP:
    6.60

    Polar Surface Area:
    84.24

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  11. ALA4556559

    Name:
    1-(4-(3-benzyl-3H-[1,2,3]triazolo[4,5-d]pyrimidin-
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    Cas Number:
    920389-31-7

    Mol. Formula:
    C24H31N7O

    M.W.:
    433.56

    Type:
    Unknown

    AlogP:
    3.28

    Polar Surface Area:
    80.04

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  12. ALA4555982

    Name:
    rac-3-(2-chlorophenylthio)-6-(3-(4-fluorophenoxy)p
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    Mol. Formula:
    C27H19ClFNO3S2

    M.W.:
    524.04

    Type:
    Unknown

    AlogP:
    7.66

    Polar Surface Area:
    58.56

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  13. ALA4529408

    Name:
    4-(5-(2-chlorophenylthio)-4-hydroxy-6-oxo-2-(thiop
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    Mol. Formula:
    C22H15ClN2O2S2

    M.W.:
    438.96

    Type:
    Unknown

    AlogP:
    5.60

    Polar Surface Area:
    73.12

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  14. ALA4515658

    Name:
    N-((1-(2-methylpyridin-4-yl)piperidin-4-yl)methyl)
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    Cas Number:
    2034259-81-7

    Mol. Formula:
    C21H24N4O2S

    M.W.:
    396.52

    Type:
    Unknown

    AlogP:
    3.13

    Polar Surface Area:
    75.19

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  15. ALA4515017

    Name:
    3-(2-(3-(1-cyclopropyl-6-methyl-2-oxo-1,2-dihydrop
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    Mol. Formula:
    C20H24N4O4

    M.W.:
    384.44

    Type:
    Unknown

    AlogP:
    0.95

    Polar Surface Area:
    86.43

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  16. ALA4745224

    Name:
    3-(2-(4-(4-fluorobenzoyl)piperazin-1-yl)ethoxy)-2-
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    Mol. Formula:
    C19H21FN2O4

    M.W.:
    360.38

    Type:
    Unknown

    AlogP:
    1.92

    Polar Surface Area:
    62.99

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  17. ALA4745150

    Name:
    2-(3-(3-((5-Cyclobutylthiophen-2-yl)ethynyl)phenyl
    Show More

    Mol. Formula:
    C35H31FN4O4S3

    M.W.:
    686.86

    Type:
    Unknown

    AlogP:
    7.14

    Polar Surface Area:
    128.17

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  18. ALA4745101

    Name:
    2-methyl-3-(2-oxo-2-(4-(pyridin-2-yl)piperazin-1-y
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    Mol. Formula:
    C17H19N3O4

    M.W.:
    329.36

    Type:
    Unknown

    AlogP:
    1.07

    Polar Surface Area:
    75.88

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  19. ALA4744743

    Name:
    2-methyl-3-(2-(4-(2-nitrobenzoyl)piperazin-1-yl)et
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    Mol. Formula:
    C19H21N3O6

    M.W.:
    387.39

    Type:
    Unknown

    AlogP:
    1.69

    Polar Surface Area:
    106.13

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  20. ALA4744588

    Name:
    2-(5-(2-Cyclopropylethyl)-4-(3-fluoro-4-sulfamoylb
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    Mol. Formula:
    C32H26F2N4O4S3

    M.W.:
    664.78

    Type:
    Unknown

    AlogP:
    6.32

    Polar Surface Area:
    128.17

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
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