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  1. ALA5286777

    Name:
    3-isobutoxy-4-(3-(naphthalen-2-ylmethoxy)-4-nitrobenzamido)benzoic acid

    Mol. Formula:
    C29H26N2O7

    M.W.:
    514.53

    Type:
    ---

    AlogP:
    6.31

    Polar Surface Area:
    128.00

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  2. ALA4780968

    Name:
    3-iodo-N-[2,2,2-trichloro-1-[(4-iodophenyl)carbamothioylamino]ethyl]benzamiShow More

    Mol. Formula:
    C16H12Cl3I2N3OS

    M.W.:
    654.53

    Type:
    Unknown

    AlogP:
    5.31

    Polar Surface Area:
    53.16

    HBA:
    2

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  3. ALA4593918

    Name:
    3-(2-methoxyethylamino)-N-(3-(5-(quinolin-6-yl)benzo[d]thiazol-2-yl)-4,5,6,Show More

    Mol. Formula:
    C29H29N5O2S2

    M.W.:
    543.72

    Type:
    Unknown

    AlogP:
    5.45

    Polar Surface Area:
    88.17

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  4. ALA4593417

    Name:
    2-(2-(3-(Isopropylamino)propanamido)-4,5,6,7-tetrahydrothieno[2,3-c]pyridinShow More

    Mol. Formula:
    C23H29N5O2S2

    M.W.:
    471.65

    Type:
    Unknown

    AlogP:
    3.70

    Polar Surface Area:
    86.36

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  5. ALA4593372

    Name:
    3-(2-methoxyethylamino)-N-(3-(6-(1-methyl-1H-pyrazol-5-yl)benzo[d]thiazol-2Show More

    Mol. Formula:
    C24H28N6O2S2

    M.W.:
    496.66

    Type:
    Unknown

    AlogP:
    3.64

    Polar Surface Area:
    93.10

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  6. ALA4593332

    Name:
    N-(3-(5-(4-chloro-1H-imidazol-1-yl)benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydroShow More

    Mol. Formula:
    C23H25ClN6OS2

    M.W.:
    501.08

    Type:
    Unknown

    AlogP:
    4.84

    Polar Surface Area:
    83.87

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  7. ALA4593297

    Name:
    N-(3-(6-(5-fluoropyridin-3-yl)benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrothienShow More

    Mol. Formula:
    C25H26FN5O2S2

    M.W.:
    511.65

    Type:
    Unknown

    AlogP:
    4.44

    Polar Surface Area:
    88.17

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  8. ALA4593257

    Name:
    2-(2,5-dimethylpyrrol-1-yl)-4-[[(4-pyrimidin-5-ylphenyl)methyleneamino]carbShow More

    Mol. Formula:
    C25H21N5O3

    M.W.:
    439.48

    Type:
    Unknown

    AlogP:
    4.01

    Polar Surface Area:
    109.47

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  9. ALA4593183

    Name:
    N-(3-([1,3]Dioxolo[4',5':4,5]benzo[1,2-d]thiazol-6-yl)-4,5,6,7-tetrahydrothShow More

    Mol. Formula:
    C22H26N4O3S2

    M.W.:
    458.61

    Type:
    Unknown

    AlogP:
    4.12

    Polar Surface Area:
    84.51

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  10. ALA4592852

    Name:
    3-(benzo[d]thiazol-2-yl)-2-(3-(sec-butylamino)propanamido)-6-isopropyl-6-meShow More

    Mol. Formula:
    C25H35N4OS2+

    M.W.:
    471.72

    Type:
    Unknown

    AlogP:
    5.65

    Polar Surface Area:
    54.02

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  11. ALA4592802

    Name:
    N-((5R,7R)-5,7-dimethyl-3-(5-(trifluoromethyl)benzo[d]thiazol-2-yl)-4,5,6,7Show More

    Mol. Formula:
    C23H27F3N4O2S2

    M.W.:
    512.62

    Type:
    Unknown

    AlogP:
    5.20

    Polar Surface Area:
    75.28

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  12. ALA4592572

    Name:
    4-[[(4-carboxyphenyl)methylamino]methyl]-2-(2,5-dimethylpyrrol-1-yl)benzoicShow More

    Mol. Formula:
    C22H22N2O4

    M.W.:
    378.43

    Type:
    Unknown

    AlogP:
    3.78

    Polar Surface Area:
    91.56

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  13. ALA4592428

    Name:
    N-(3-(5-(2-aminopyridin-4-yl)benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrothienoShow More

    Mol. Formula:
    C25H28N6O2S2

    M.W.:
    508.67

    Type:
    Unknown

    AlogP:
    3.88

    Polar Surface Area:
    114.19

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  14. ALA4592337

    Name:
    N-(3-(benzo[d]thiazol-2-yl)-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyriShow More

    Mol. Formula:
    C24H32N4OS2

    M.W.:
    456.68

    Type:
    Unknown

    AlogP:
    5.46

    Polar Surface Area:
    48.47

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  15. ALA4592328

    Name:
    4-[[(Z)-(3-carboxyphenyl)methyleneamino]carbamoyl]-2-(2,5-dimethylpyrrol-1-Show More

    Mol. Formula:
    C22H19N3O5

    M.W.:
    405.41

    Type:
    Unknown

    AlogP:
    3.25

    Polar Surface Area:
    120.99

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  16. ALA4592303

    Name:
    N-(3-(6-(2-fluoropyridin-3-yl)benzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrothienShow More

    Mol. Formula:
    C25H26FN5O2S2

    M.W.:
    511.65

    Type:
    Unknown

    AlogP:
    4.44

    Polar Surface Area:
    88.17

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  17. ALA4592180

    Name:
    N-(3-(5-cyanobenzo[d]thiazol-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-2Show More

    Mol. Formula:
    C21H23N5OS2

    M.W.:
    425.58

    Type:
    Unknown

    AlogP:
    3.87

    Polar Surface Area:
    89.84

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  18. ALA4592135

    Name:
    3-(3-cyano-3-methylazetidin-1-yl)-N-(3-(thiazolo[4,5-c]pyridin-2-yl)-4,5,6,Show More

    Mol. Formula:
    C21H22N6OS2

    M.W.:
    438.58

    Type:
    Unknown

    AlogP:
    3.24

    Polar Surface Area:
    93.94

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  19. ALA4591927

    Name:
    N-((5R,7R)-6-ethyl-5,7-dimethyl-3-(thiazolo[4,5-c]pyridin-2-yl)-4,5,6,7-tetShow More

    Mol. Formula:
    C19H22N4OS2

    M.W.:
    386.55

    Type:
    Unknown

    AlogP:
    4.71

    Polar Surface Area:
    58.12

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  20. ALA4591866

    Name:
    3-(2-methoxyethylamino)-N-(3-(5-(3-(methylsulfonyl)phenyl)benzo[d]thiazol-2Show More

    Mol. Formula:
    C27H30N4O4S3

    M.W.:
    570.76

    Type:
    Unknown

    AlogP:
    4.31

    Polar Surface Area:
    109.42

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
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