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  1. ALA4536638

    Name:
    N-[4-(diethylamino)phenyl]-3-phenyl-1H-pyrazole-4-
    Show More

    Mol. Formula:
    C20H22N4O

    M.W.:
    334.42

    Type:
    Unknown

    AlogP:
    4.18

    Polar Surface Area:
    61.02

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  2. ALA4522224

    Name:
    N1-[[3-(3,5-difluorophenyl)-1H-pyrazol-4-yl]methyl
    Show More

    Mol. Formula:
    C20H22F2N4

    M.W.:
    356.42

    Type:
    Unknown

    AlogP:
    4.81

    Polar Surface Area:
    43.95

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  3. ALA4530369

    Name:
    N-[4-(diethylamino)phenyl]-2-phenyl-pyrazole-3-car
    Show More

    Mol. Formula:
    C20H22N4O

    M.W.:
    334.42

    Type:
    Unknown

    AlogP:
    3.97

    Polar Surface Area:
    50.16

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  4. ALA4465352

    Name:
    N1-[[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N4
    Show More

    Mol. Formula:
    C18H19FN4

    M.W.:
    310.38

    Type:
    Unknown

    AlogP:
    3.89

    Polar Surface Area:
    43.95

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  5. ALA4470507

    Name:
    6-(5-heptyl-1,2-oxazol-3-yl)hexanoic acid

    Mol. Formula:
    C16H27NO3

    M.W.:
    281.40

    Type:
    Unknown

    AlogP:
    4.38

    Polar Surface Area:
    63.33

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  6. ALA4542352

    Name:
    diethyl-hydroxy-[4-[(5-methyl-3-phenyl-isoxazole-4
    Show More

    Mol. Formula:
    C28H28ClN3O5

    M.W.:
    522.00

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA5189566

    Name:
    N'-(3-((3,5-dimethylisoxazol-4-yl)methoxy)benzoyl)
    Show More

    Mol. Formula:
    C23H20N4O4

    M.W.:
    416.44

    Type:
    ---

    AlogP:
    3.49

    Polar Surface Area:
    106.35

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  8. ALA5093951

    Name:
    3,3',3''-((9S,12S,15S,18S,24S,27S)-27-benzyl-9-(4-
    Show More

    Mol. Formula:
    C72H78N10O21S

    M.W.:
    1451.53

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA5091106

    Name:
    1,,-(3,3',3''-((12S,15S,18S,24S,27S)-27-benzyl-24-
    Show More

    Mol. Formula:
    C50H73N17O10

    M.W.:
    1072.24

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA5089476

    Name:
    1-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,
    Show More

    Mol. Formula:
    C57H79N19O15S

    M.W.:
    1302.44

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA5085346

    Name:

    Mol. Formula:
    C75H93N19O15S

    M.W.:
    1532.75

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA5083755

    Name:
    1-(4-((9S,12S,15S,18S,24S,27S)-27-benzyl-12,15,18-
    Show More

    Mol. Formula:
    C75H93N19O15S

    M.W.:
    1532.75

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA5073513

    Name:

    Mol. Formula:
    C75H95N19O16S

    M.W.:
    1550.77

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA4456650

    Name:
    [3-amino-5-(4-methoxyphenyl)pyrazol-1-yl]-(5-methy
    Show More

    Mol. Formula:
    C21H18N4O3

    M.W.:
    374.40

    Type:
    Unknown

    AlogP:
    3.79

    Polar Surface Area:
    96.17

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  15. ALA4455490

    Name:
    N-[4-(diethylamino)phenyl]-5-phenyl-3-propyl-triaz
    Show More

    Mol. Formula:
    C22H27N5O

    M.W.:
    377.49

    Type:
    Unknown

    AlogP:
    4.45

    Polar Surface Area:
    63.05

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  16. ALA4452131

    Name:
    N-(4-benzyloxyphenyl)-5-methyl-3-phenyl-isoxazole-
    Show More

    Mol. Formula:
    C24H20N2O3

    M.W.:
    384.44

    Type:
    Unknown

    AlogP:
    5.48

    Polar Surface Area:
    64.36

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  17. ALA4439698

    Name:
    5-(diethylamino)-2-[(5-methyl-3-phenyl-isoxazol-4-
    Show More

    Mol. Formula:
    C21H23N3O2

    M.W.:
    349.43

    Type:
    Unknown

    AlogP:
    4.95

    Polar Surface Area:
    61.86

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  18. ALA2316315

    Name:
    N-(4'-Pyrazinimidoylamino-biphenyl-4-yl)-pyrazine-
    Show More

    Mol. Formula:
    C22H18N8

    M.W.:
    394.44

    Type:
    Small molecule

    AlogP:
    3.81

    Polar Surface Area:
    123.32

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  19. ALA2311587

    Name:
    N-(4'-Isonicotinimidoylamino-biphenyl-4-yl)-isonic
    Show More

    Mol. Formula:
    C24H20N6

    M.W.:
    392.47

    Type:
    Small molecule

    AlogP:
    5.02

    Polar Surface Area:
    97.54

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  20. ALA2316052

    Name:
    N-{3-[4-(2-Pyridineimidoylamino-propyl)-piperazin-
    Show More

    Mol. Formula:
    C22H32N8

    M.W.:
    408.55

    Type:
    Small molecule

    AlogP:
    1.40

    Polar Surface Area:
    104.02

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
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