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  1. ALA5271207

    Name:
    N-((S)-1-(((2R,3S)-2-(aminomethyl)-6-((2-methoxyethoxy)methoxy)-2,3-dihydroShow More

    Mol. Formula:
    C36H38BrN3O6

    M.W.:
    688.62

    Type:
    ---

    AlogP:
    5.28

    Polar Surface Area:
    112.35

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  2. ALA5282360

    Name:
    5-phenyl-2-(4-phenyl-4,5-dihydrothiazol-2-yl)-4-(2-(thiazol-2-yl)hydrazineyShow More

    Mol. Formula:
    C21H16N6OS2

    M.W.:
    432.53

    Type:
    ---

    AlogP:
    4.00

    Polar Surface Area:
    82.31

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  3. ALA5278460

    Name:
    N-((S)-1-((((2R,3S)-3-amino-6-((2-methoxyethoxy)methoxy)-2,3-dihydrobenzofuShow More

    Mol. Formula:
    C36H38BrN3O6

    M.W.:
    688.62

    Type:
    ---

    AlogP:
    5.28

    Polar Surface Area:
    112.35

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  4. ALA5289201

    Name:
    1-(3,6-dibromo-2-nitro-9H-carbazol-9-yl)-3-(piperazin-1-yl)propan-2-ol

    Mol. Formula:
    C19H20Br2N4O3

    M.W.:
    512.20

    Type:
    ---

    AlogP:
    3.49

    Polar Surface Area:
    83.57

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  5. ALA5266955

    Name:
    4-(2-(2-ethoxyphenyl)hydrazineylidene)-5-methyl-2-(4-phenyl-4,5-dihydrothiaShow More

    Mol. Formula:
    C21H21N5O2S

    M.W.:
    407.50

    Type:
    ---

    AlogP:
    3.92

    Polar Surface Area:
    78.65

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  6. ALA4868313

    Name:
    2-[(2-nitrofluoren-9-ylidene)methyl]phenol

    Mol. Formula:
    C20H13NO3

    M.W.:
    315.33

    Type:
    Unknown

    AlogP:
    4.87

    Polar Surface Area:
    63.37

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  7. ALA4783072

    Name:
    4-(2-(2-ethoxyphenyl)hydrazono)-3-methyl-1-(5-phenylthiazol-2-yl)-1H-pyrazoShow More

    Mol. Formula:
    C21H19N5O2S

    M.W.:
    405.48

    Type:
    Unknown

    AlogP:
    4.40

    Polar Surface Area:
    79.18

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  8. ALA3417410

    Name:
    4-Benzylidene-3-methyl-1-(4-phenylthiazol-2-yl)-1H-pyrazol-5(4H)-one

    Mol. Formula:
    C20H15N3OS

    M.W.:
    345.43

    Type:
    Small molecule

    AlogP:
    4.62

    Polar Surface Area:
    45.56

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  9. ALA3417409

    Name:
    2-(4'-(Dimethylamino)-5-hydroxy-[1,1'-biphenyl]-3-yl)-5-methyl-4-(2-(naphthShow More

    Mol. Formula:
    C28H25N5O2

    M.W.:
    463.54

    Type:
    Small molecule

    AlogP:
    5.47

    Polar Surface Area:
    80.53

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  10. ALA3417408

    Name:
    1-(4'-(Dimethylamino)-[1,1'-biphenyl]-3-yl)-4-(2-(2-ethoxyphenyl)hydrazono)Show More

    Mol. Formula:
    C26H27N5O2

    M.W.:
    441.54

    Type:
    Small molecule

    AlogP:
    5.01

    Polar Surface Area:
    69.53

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  11. ALA3417407

    Name:
    4-(2-(2-Ethoxyphenyl)hydrazono)-1-(5-hydroxy-4'-isopropyl-[1,1'-biphenyl]-3Show More

    Mol. Formula:
    C27H28N4O3

    M.W.:
    456.55

    Type:
    Small molecule

    AlogP:
    5.77

    Polar Surface Area:
    86.52

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  12. ALA3417406

    Name:
    2-(3'-Amino-5-hydroxy-[1,1'-biphenyl]-3-yl)-4-(2-(2-ethoxyphenyl)hydrazono)Show More

    Mol. Formula:
    C24H23N5O3

    M.W.:
    429.48

    Type:
    Small molecule

    AlogP:
    4.23

    Polar Surface Area:
    112.54

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  13. ALA3417405

    Name:
    4-(2-(2-Ethoxyphenyl)hydrazono)-1-(3-hydroxy-5-(thiophen-2-yl)phenyl)-3-metShow More

    Mol. Formula:
    C22H20N4O3S

    M.W.:
    420.49

    Type:
    Small molecule

    AlogP:
    4.71

    Polar Surface Area:
    86.52

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  14. ALA3417404

    Name:
    4-(2-(2-Ethoxyphenyl)hydrazono)-1-(3-hydroxy-5-(pyridin-4-yl)-phenyl)-3-metShow More

    Mol. Formula:
    C23H21N5O3

    M.W.:
    415.45

    Type:
    Small molecule

    AlogP:
    4.04

    Polar Surface Area:
    99.41

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  15. ALA3417403

    Name:
    4-(2-(2-Ethoxyphenyl)-hydrazono)-1-(5-hydroxy-[1,1'-biphenyl]-3-yl)-3-methyShow More

    Mol. Formula:
    C24H22N4O3

    M.W.:
    414.47

    Type:
    Small molecule

    AlogP:
    4.65

    Polar Surface Area:
    86.52

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  16. ALA3417402

    Name:
    1-(4'-(Dimethylamino)-5-hydroxy-[1,1'-biphenyl]-3-yl)-4-(2-(2-ethoxyphenyl)Show More

    Mol. Formula:
    C26H27N5O3

    M.W.:
    457.53

    Type:
    Small molecule

    AlogP:
    4.71

    Polar Surface Area:
    89.76

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  17. ALA3417401

    Name:
    1-(2-Ethoxyphenyl)-2-(3-methyl-5-oxo-1-(4-phenylthiazol-2-yl)-4,5-dihydro-1Show More

    Mol. Formula:
    C23H19N3O4S

    M.W.:
    433.49

    Type:
    Small molecule

    AlogP:
    4.00

    Polar Surface Area:
    88.93

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  18. ALA3417400

    Name:
    4-(2-(2-Ethoxyphenyl)acetyl)-3-methyl-1-(4-phenylthiazol-2-yl)-1H-pyrazol-5Show More

    Mol. Formula:
    C23H21N3O3S

    M.W.:
    419.51

    Type:
    Small molecule

    AlogP:
    4.36

    Polar Surface Area:
    71.86

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  19. ALA3417399

    Name:
    4-((1H-Imidazol-2-yl)methylene)-3-methyl-1(4-phenylthiazol-2-yl)-1H-pyrazolShow More

    Mol. Formula:
    C17H13N5OS

    M.W.:
    335.39

    Type:
    Small molecule

    AlogP:
    3.34

    Polar Surface Area:
    74.24

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  20. ALA3417398

    Name:
    3-Methyl-4-(naphthalen-2-ylmethylene)-1-(4-phenylthiazol-2-yl)-1H-pyrazol-5Show More

    Mol. Formula:
    C24H17N3OS

    M.W.:
    395.49

    Type:
    Small molecule

    AlogP:
    5.77

    Polar Surface Area:
    45.56

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
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