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  1. ALA4521782

    Name:
    (2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-(4-(4-hydroxyphenylthio)phenoxy)tetrahShow More

    Mol. Formula:
    C26H28O11S

    M.W.:
    548.57

    Type:
    Unknown

    AlogP:
    3.01

    Polar Surface Area:
    143.89

    HBA:
    12

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  2. ALA4464828

    Name:
    2-(4-hydroxybenzyl)-4-(4-hydroxyphenylthio)phenol

    Mol. Formula:
    C19H16O3S

    M.W.:
    324.40

    Type:
    Unknown

    AlogP:
    4.55

    Polar Surface Area:
    60.69

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  3. ALA4456828

    Name:
    2-(2-Benzyl)benzyl-4-(4-hydroxybenzyl)phenol

    Mol. Formula:
    C27H24O2

    M.W.:
    380.49

    Type:
    Unknown

    AlogP:
    5.87

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  4. ALA4453769

    Name:
    Gastropolybenzylol E

    Mol. Formula:
    C23H24O4

    M.W.:
    364.44

    Type:
    Unknown

    AlogP:
    4.52

    Polar Surface Area:
    69.92

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  5. MS48107

    Name:
    (2-(4-Amino-6-((4-phenoxybenzyl)amino)-1,3,5-triazin-2-yl)-3-fluorophenyl)mShow More

    Mol. Formula:
    C23H20FN5O2

    M.W.:
    417.44

    Type:
    Unknown

    AlogP:
    4.16

    Polar Surface Area:
    106.18

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  6. ALA4448522

    Name:
    (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(4-(4-hydroxyphenylthio)phenoxy)tetrahShow More

    Mol. Formula:
    C18H20O7S

    M.W.:
    380.42

    Type:
    Unknown

    AlogP:
    0.72

    Polar Surface Area:
    119.61

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  7. ALA4442935

    Name:
    Gastropolybenzylol D

    Mol. Formula:
    C19H24O4

    M.W.:
    316.40

    Type:
    Unknown

    AlogP:
    3.76

    Polar Surface Area:
    58.92

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  8. ALA4436312

    Name:
    Gastropolybenzylol F

    Mol. Formula:
    C30H30O5

    M.W.:
    470.57

    Type:
    Unknown

    AlogP:
    5.82

    Polar Surface Area:
    90.15

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  9. ALA4115681

    Name:
    US8552037, 86

    Mol. Formula:
    C15H16N2OS

    M.W.:
    272.37

    Type:
    Small molecule

    AlogP:
    3.07

    Polar Surface Area:
    41.99

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  10. ALA4114715

    Name:
    US8552037, 84

    Mol. Formula:
    C24H26N2O2

    M.W.:
    374.48

    Type:
    Small molecule

    AlogP:
    4.86

    Polar Surface Area:
    55.13

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  11. ALA4114658

    Name:
    US8552037, 81

    Mol. Formula:
    C15H16N2O2

    M.W.:
    256.31

    Type:
    Small molecule

    AlogP:
    2.60

    Polar Surface Area:
    55.13

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.90

    DETAILS
  12. ALA4102177

    Name:
    N-(2-(2-Methoxyquinolin-8-yl)ethyl)acetamide

    Mol. Formula:
    C14H16N2O2

    M.W.:
    244.29

    Type:
    Small molecule

    AlogP:
    1.92

    Polar Surface Area:
    51.22

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  13. ALA4094436

    Name:
    N-(2-(3-Methoxyquinolin-5-yl)ethyl)acetamide

    Mol. Formula:
    C14H16N2O2

    M.W.:
    244.29

    Type:
    Small molecule

    AlogP:
    1.92

    Polar Surface Area:
    51.22

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  14. ALA4073867

    Name:
    N-(2-(2-Methoxyquinolin-7-yl)ethyl)acetamide

    Mol. Formula:
    C14H16N2O2

    M.W.:
    244.29

    Type:
    Small molecule

    AlogP:
    1.92

    Polar Surface Area:
    51.22

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  15. ALA3648369

    Name:
    US8552037, 123

    Mol. Formula:
    C15H15F3N2O2

    M.W.:
    312.29

    Type:
    Small molecule

    AlogP:
    3.23

    Polar Surface Area:
    55.13

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.95

    DETAILS
  16. ALA3648367

    Name:
    US8552037, 116

    Mol. Formula:
    C15H18N2O3

    M.W.:
    274.32

    Type:
    Small molecule

    AlogP:
    2.39

    Polar Surface Area:
    64.36

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.93

    DETAILS
  17. ALA3648364

    Name:
    US8552037, 99

    Mol. Formula:
    C15H18N2OS

    M.W.:
    274.39

    Type:
    Small molecule

    AlogP:
    3.16

    Polar Surface Area:
    41.99

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.93

    DETAILS
  18. ALA3648363

    Name:
    US8552037, 98

    Mol. Formula:
    C15H18N2OS

    M.W.:
    274.39

    Type:
    Small molecule

    AlogP:
    3.16

    Polar Surface Area:
    41.99

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.93

    DETAILS
  19. ALA3648361

    Name:
    US8552037, 95

    Mol. Formula:
    C24H28N2O2

    M.W.:
    376.50

    Type:
    Small molecule

    AlogP:
    4.95

    Polar Surface Area:
    55.13

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  20. ALA3648360

    Name:
    US8552037, 94

    Mol. Formula:
    C16H20N2O2

    M.W.:
    272.35

    Type:
    Small molecule

    AlogP:
    3.08

    Polar Surface Area:
    55.13

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.93

    DETAILS
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