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  1. ALA5283325

    Name:
    9-chloro-6-(3-methylpiperazin-1-yl)-11H-indeno[1,2
    Show More

    Mol. Formula:
    C21H18ClN3O

    M.W.:
    363.85

    Type:
    ---

    AlogP:
    3.90

    Polar Surface Area:
    45.23

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  2. ALA2299053

    Name:
    N-(2-Methoxybenzyl)-2-[(3-phenyl-2-oxo-2H-[1,2,4]t
    Show More

    Mol. Formula:
    C26H21N5O3S

    M.W.:
    483.55

    Type:
    Small molecule

    AlogP:
    3.72

    Polar Surface Area:
    98.48

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  3. ALA2298129

    Name:
    3,5-Diphenyl-6H-thiazolo[4,5-d]pyrimidine-2,7-dion
    Show More

    Mol. Formula:
    C17H11N3O2S

    M.W.:
    321.36

    Type:
    Small molecule

    AlogP:
    2.80

    Polar Surface Area:
    67.75

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  4. ALA2298126

    Name:
    7-Chloro-5-(4-fluorophenyl)-3-phenyl-thiazolo[4,5-
    Show More

    Mol. Formula:
    C17H9ClFN3OS

    M.W.:
    357.80

    Type:
    Small molecule

    AlogP:
    4.30

    Polar Surface Area:
    47.78

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  5. ALA5186738

    Name:
    3-((5Z)-5-[2-(Allyloxy)benzylidene]-4-oxo-2-thioxo
    Show More

    Mol. Formula:
    C23H17ClN2O4S2

    M.W.:
    484.99

    Type:
    ---

    AlogP:
    4.44

    Polar Surface Area:
    66.92

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  6. ALA4594396

    Name:
    8-CHLOROADENOSINE

    Cas Number:
    34408-14-5

    Mol. Formula:
    C10H12ClN5O4

    M.W.:
    301.69

    Type:
    Small molecule

    AlogP:
    -1.33

    Polar Surface Area:
    139.54

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  7. ALA4218389

    Name:
    N-(4-((8,9-dimethoxy-6,11-dihydro-5H-benzo[e]pyrim
    Show More

    Mol. Formula:
    C30H27FN6O5

    M.W.:
    570.58

    Type:
    Small molecule

    AlogP:
    5.45

    Polar Surface Area:
    135.73

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  8. ALA4207657

    Name:
    N-(4-((8,9-dimethoxy-11H-benzo[e]pyrimido[5,4-b][1
    Show More

    Mol. Formula:
    C30H25FN6O5

    M.W.:
    568.57

    Type:
    Small molecule

    AlogP:
    5.59

    Polar Surface Area:
    136.06

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  9. ALA3740066

    Name:
    (Z)-3-(2,4-dimethoxy-6-(4-methoxystyryl)phenyl)-2-
    Show More

    Mol. Formula:
    C27H25NO4

    M.W.:
    427.50

    Type:
    Small molecule

    AlogP:
    5.96

    Polar Surface Area:
    60.71

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  10. ALA3739563

    Name:
    (Z)-3-(2,4-dimethoxy-6-(4-methoxystyryl)phenyl)-2-
    Show More

    Mol. Formula:
    C27H25NO4

    M.W.:
    427.50

    Type:
    Small molecule

    AlogP:
    5.96

    Polar Surface Area:
    60.71

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  11. ALA3740329

    Name:
    (E)-2-(3,4-dimethoxyphenyl)-3-(3-hydroxy-4-methoxy
    Show More

    Mol. Formula:
    C18H17NO4

    M.W.:
    311.34

    Type:
    Small molecule

    AlogP:
    3.48

    Polar Surface Area:
    71.71

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  12. ALA3741917

    Name:
    (Z)-2-(3,4-dimethoxyphenyl)-3-(3-hydroxy-4-methoxy
    Show More

    Mol. Formula:
    C18H17NO4

    M.W.:
    311.34

    Type:
    Small molecule

    AlogP:
    3.48

    Polar Surface Area:
    71.71

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  13. ALA3740458

    Name:
    (Z)-2-(3,5-dimethoxyphenyl)-3-(4-methoxyphenyl)acr
    Show More

    Mol. Formula:
    C18H17NO3

    M.W.:
    295.34

    Type:
    Small molecule

    AlogP:
    3.78

    Polar Surface Area:
    51.48

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  14. ALA3741506

    Name:
    (Z)-3-(3,5-dimethoxyphenyl)-2-(3,4,5-trimethoxyphe
    Show More

    Mol. Formula:
    C20H21NO5

    M.W.:
    355.39

    Type:
    Small molecule

    AlogP:
    3.79

    Polar Surface Area:
    69.94

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  15. ALA3289214

    Name:
    tert-Butyl(S)-(1-(benzyl(N-benzyl-4-(benzylcarbamo
    Show More

    Mol. Formula:
    C41H48N4O4

    M.W.:
    660.86

    Type:
    Small molecule

    AlogP:
    6.50

    Polar Surface Area:
    90.98

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  16. ALA3127831

    Name:
    1-Oxo-1H-isothiochromene-3-carboxylic acid(4-pheny
    Show More

    Mol. Formula:
    C19H12N2O2S2

    M.W.:
    364.45

    Type:
    Small molecule

    AlogP:
    4.64

    Polar Surface Area:
    59.06

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  17. ALA3127830

    Name:
    7,8-Dimethoxy-1-oxo-1H-isothiochromene-3-carboxyli
    Show More

    Cas Number:
    622352-73-2

    Mol. Formula:
    C15H12N2O4S2

    M.W.:
    348.41

    Type:
    Small molecule

    AlogP:
    2.99

    Polar Surface Area:
    77.52

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  18. ALA2440592

    Name:
    N'-(5-Chloro-2-hydroxybenzylidene)-2-(2-(trifluoro
    Show More

    Mol. Formula:
    C20H14ClF3N4O2

    M.W.:
    434.81

    Type:
    Small molecule

    AlogP:
    4.97

    Polar Surface Area:
    86.61

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  19. ALA2440591

    Name:
    N'-(3-Ethoxy-2-hydroxybenzylidene)-3-(2-(trifluoro
    Show More

    Mol. Formula:
    C22H19F3N4O3

    M.W.:
    444.41

    Type:
    Small molecule

    AlogP:
    4.71

    Polar Surface Area:
    95.84

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  20. ALA2440590

    Name:
    N'-(2,4-Dihydroxybenzylidene)-3-(2-(trifluoromethy
    Show More

    Mol. Formula:
    C20H15F3N4O3

    M.W.:
    416.36

    Type:
    Small molecule

    AlogP:
    4.02

    Polar Surface Area:
    106.84

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
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