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  1. ALA1599768

    Name:
    SID26747776

    Cas Number:
    22204-24-6

    Mol. Formula:
    C34H30N2O6S

    M.W.:
    594.69

    Type:
    Small molecule

    AlogP:
    2.50

    Polar Surface Area:
    15.60

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.73

    DETAILS
  2. ALA4541455

    Name:
    methyl 2-[[5-cyano-2-(2-hydroxyphenyl)-4-oxo-2,3-d
    Show More

    Mol. Formula:
    C14H12N2O4S2

    M.W.:
    336.39

    Type:
    Unknown

    AlogP:
    1.90

    Polar Surface Area:
    99.42

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  3. ALA5193395

    Name:
    Ethyl 3-(2-(benzo[d]oxazol-2-ylamino)-4-(2-chlorop
    Show More

    Mol. Formula:
    C28H24ClN5O4

    M.W.:
    529.98

    Type:
    ---

    AlogP:
    5.68

    Polar Surface Area:
    117.85

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  4. ALA5094523

    Name:
    2-(4-(3-chloro-[1,1'-biphenyl]-4-yl)-2-((6-fluorob
    Show More

    Mol. Formula:
    C31H22ClFN6O4

    M.W.:
    597.01

    Type:
    Unknown

    AlogP:
    6.41

    Polar Surface Area:
    141.74

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  5. ALA5090957

    Name:
    2-(2-(benzo[d]oxazol-2-ylamino)-4-(2-chlorophenyl)
    Show More

    Mol. Formula:
    C23H17ClN6O4S

    M.W.:
    508.95

    Type:
    Unknown

    AlogP:
    4.66

    Polar Surface Area:
    141.74

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  6. ALA5090755

    Name:
    [N-[2-(1,3-benzoxazol-2-ylamino)-4-(4-chloro-1-met
    Show More

    Mol. Formula:
    C25H22ClN9O2S

    M.W.:
    548.03

    Type:
    Unknown

    AlogP:
    4.41

    Polar Surface Area:
    157.07

    HBA:
    11

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  7. ALA5089592

    Name:
    N-(1,3-benzoxazol-2-yl)-7-(1,3-benzoxazol-2-ylamin
    Show More

    Mol. Formula:
    C24H22N6O3

    M.W.:
    442.48

    Type:
    Unknown

    AlogP:
    4.57

    Polar Surface Area:
    117.58

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  8. ALA5085554

    Name:
    2-(2-(benzo[d]oxazol-2-ylamino)-4-(2-chlorophenyl)
    Show More

    Mol. Formula:
    C26H20ClN5O4

    M.W.:
    501.93

    Type:
    Unknown

    AlogP:
    5.20

    Polar Surface Area:
    128.85

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  9. ALA5084931

    Name:
    N-(1,2-benzoxazol-3-yl)-2-(1,3-benzoxazol-2-ylamin
    Show More

    Mol. Formula:
    C24H19ClN8O3

    M.W.:
    502.92

    Type:
    Unknown

    AlogP:
    4.38

    Polar Surface Area:
    135.40

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  10. ALA5084217

    Name:
    methyl-2-(5-(2-(benzo[d]oxazol-2-ylamino)-4-(2-chl
    Show More

    Mol. Formula:
    C24H20ClN7O4S

    M.W.:
    537.99

    Type:
    Unknown

    AlogP:
    4.07

    Polar Surface Area:
    143.63

    HBA:
    11

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  11. ALA5082955

    Name:
    ethyl-3-(2-(benzo[d]oxazol-2-ylamino)-4-(2-chlorop
    Show More

    Mol. Formula:
    C28H24ClN5O4

    M.W.:
    529.98

    Type:
    Unknown

    AlogP:
    5.68

    Polar Surface Area:
    117.85

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  12. ALA5082888

    Name:
    2-(benzo[d]oxazol-2-ylamino)-4-(2-chlorophenyl)-N-
    Show More

    Mol. Formula:
    C27H24ClN5O3

    M.W.:
    501.97

    Type:
    Unknown

    AlogP:
    5.04

    Polar Surface Area:
    111.78

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  13. ALA5081596

    Name:
    methyl-5-(2-(benzo[d]oxazol-2-ylamino)-4-(2-chloro
    Show More

    Mol. Formula:
    C26H21ClN6O4

    M.W.:
    516.95

    Type:
    Unknown

    AlogP:
    4.69

    Polar Surface Area:
    130.74

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  14. ALA5080851

    Name:
    2-(1,3-benzoxazol-2-ylamino)-N,4-bis(2-bromophenyl
    Show More

    Mol. Formula:
    C25H19Br2N5O2

    M.W.:
    581.27

    Type:
    Unknown

    AlogP:
    6.38

    Polar Surface Area:
    91.55

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  15. ALA5076940

    Name:
    N-(4-(1H-tetrazol-5-yl)phenyl)-2-(benzo[d]oxazol-2
    Show More

    Mol. Formula:
    C27H21ClN8O2

    M.W.:
    524.97

    Type:
    Unknown

    AlogP:
    5.29

    Polar Surface Area:
    133.12

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  16. ALA5076512

    Name:
    5-(2-(benzo[d]oxazol-2-ylamino)-4-(2-chlorophenyl)
    Show More

    Mol. Formula:
    C25H19ClN6O4

    M.W.:
    502.92

    Type:
    Unknown

    AlogP:
    4.60

    Polar Surface Area:
    141.74

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  17. ALA5076126

    Name:
    2-(benzo[d]oxazol-2-ylamino)-4-(2-chlorophenyl)-N-
    Show More

    Mol. Formula:
    C26H22ClN5O3

    M.W.:
    487.95

    Type:
    Unknown

    AlogP:
    5.00

    Polar Surface Area:
    111.78

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  18. ALA4556350

    Name:
    2-phenyl-5-[3-phenylprop-2-enylidene]-1,3-dioxane-
    Show More

    Mol. Formula:
    C19H14O4

    M.W.:
    306.32

    Type:
    Unknown

    AlogP:
    3.43

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  19. ALA4554037

    Name:
    [2-methoxy-4-[(4-oxo-2-thioxo-thiazolidin-5-yliden
    Show More

    Mol. Formula:
    C19H15NO4S2

    M.W.:
    385.47

    Type:
    Unknown

    AlogP:
    3.71

    Polar Surface Area:
    64.63

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  20. ALA4537077

    Name:
    3-[4-[[5-(3-chloro-2-methyl-phenyl)-2-furyl]methyl
    Show More

    Mol. Formula:
    C23H17ClN2O4

    M.W.:
    420.85

    Type:
    Unknown

    AlogP:
    5.41

    Polar Surface Area:
    83.11

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
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