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  1. ALA5205902

    Name:
    Methyl-4-(quinolin-2-ylmethoxy)benzoate

    Mol. Formula:
    C18H15NO3

    M.W.:
    293.32

    Type:
    ---

    AlogP:
    3.60

    Polar Surface Area:
    48.42

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  2. ALA5205127

    Name:
    Montelukast

    Mol. Formula:
    C36H38ClNO2S

    M.W.:
    584.23

    Type:
    ---

    AlogP:
    10.02

    Polar Surface Area:
    50.19

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  3. 4-(2-Quinolinylmethoxy)benzoicacid

    Name:
    4-(Quinolin-2-ylmethoxy)benzoic Acid

    Mol. Formula:
    C17H13NO3

    M.W.:
    279.30

    Type:
    ---

    AlogP:
    3.51

    Polar Surface Area:
    59.42

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  4. ALA5193617

    Name:
    Methyl-3-hydroxy-5-(quinolin-2-ylmethoxy)benzoate

    Mol. Formula:
    C18H15NO4

    M.W.:
    309.32

    Type:
    ---

    AlogP:
    3.31

    Polar Surface Area:
    68.65

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  5. ALA5192002

    Name:
    2-((3-(Sec-butoxy)phenoxy)methyl)quinoline

    Mol. Formula:
    C20H21NO2

    M.W.:
    307.39

    Type:
    ---

    AlogP:
    4.99

    Polar Surface Area:
    31.35

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  6. ALA5189686

    Name:
    2-((3-isopropoxyphenoxy)methyl)quinoline

    Mol. Formula:
    C19H19NO2

    M.W.:
    293.37

    Type:
    ---

    AlogP:
    4.60

    Polar Surface Area:
    31.35

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  7. ALA5189181

    Name:
    2-((3-Propoxyphenoxy)methyl)quinoline

    Mol. Formula:
    C19H19NO2

    M.W.:
    293.37

    Type:
    ---

    AlogP:
    4.60

    Polar Surface Area:
    31.35

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  8. ALA5185938

    Name:
    3-(Hydroxymethyl)-5-(quinolin-2-ylmethoxy)phenol

    Mol. Formula:
    C17H15NO3

    M.W.:
    281.31

    Type:
    ---

    AlogP:
    3.01

    Polar Surface Area:
    62.58

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  9. ALA5181326

    Name:
    (4-(Quinolin-2-ylmethoxy)phenyl)methanol

    Mol. Formula:
    C17H15NO2

    M.W.:
    265.31

    Type:
    ---

    AlogP:
    3.31

    Polar Surface Area:
    42.35

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  10. ALA5177797

    Name:
    3-Hydroxy-5-(quinolin-2-ylmethoxy)benzoic Acid

    Mol. Formula:
    C17H13NO4

    M.W.:
    295.29

    Type:
    ---

    AlogP:
    3.22

    Polar Surface Area:
    79.65

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  11. ALA5173307

    Name:
    Methyl-3-(quinolin-2-ylmethoxy)benzoate

    Mol. Formula:
    C18H15NO3

    M.W.:
    293.32

    Type:
    ---

    AlogP:
    3.60

    Polar Surface Area:
    48.42

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  12. ALA5172427

    Name:
    2-((3-(Pentyloxy)phenoxy)methyl)quinoline

    Mol. Formula:
    C21H23NO2

    M.W.:
    321.42

    Type:
    ---

    AlogP:
    5.38

    Polar Surface Area:
    31.35

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  13. ALA3810210

    Name:
    3-((E)-3-((3-((E)-2-(7-chloroquinolin-2-yl)vinyl)phenyl)amino)-3-oxoprop-1-Show More

    Mol. Formula:
    C30H22ClN3O4

    M.W.:
    523.98

    Type:
    Small molecule

    AlogP:
    6.90

    Polar Surface Area:
    104.31

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  14. ALA3808608

    Name:
    3-((E)-3-((3-((E)-2-(7-chloroquinolin-2-yl)vinyl)phenyl)amino)-3-oxoprop-1-Show More

    Mol. Formula:
    C30H22ClN3O4

    M.W.:
    523.98

    Type:
    Small molecule

    AlogP:
    6.90

    Polar Surface Area:
    104.31

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  15. ALA3808613

    Name:
    3-((E)-3-((3-((E)-2-(7-chloroquinolin-2-yl)vinyl)phenyl)amino)-3-oxoprop-1-Show More

    Mol. Formula:
    C30H22ClN3O4

    M.W.:
    523.98

    Type:
    Small molecule

    AlogP:
    6.90

    Polar Surface Area:
    104.31

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  16. ALA3808968

    Name:
    3-((E)-3-((3-((E)-2-(7-chloroquinolin-2-yl)vinyl)phenyl)amino)-3-oxoprop-1-Show More

    Mol. Formula:
    C29H18ClF2N3O3

    M.W.:
    529.93

    Type:
    Small molecule

    AlogP:
    7.17

    Polar Surface Area:
    95.08

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  17. ALA3809189

    Name:
    3-((E)-3-((3-((E)-2-(7-chloroquinolin-2-yl)vinyl)phenyl)amino)-3-oxoprop-1-Show More

    Mol. Formula:
    C29H19ClFN3O3

    M.W.:
    511.94

    Type:
    Small molecule

    AlogP:
    7.03

    Polar Surface Area:
    95.08

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  18. ALA3809483

    Name:
    7-chloro-3-((E)-3-((3-((E)-2-(7-chloroquinolin-2-yl)vinyl)phenyl)amino)-3-oShow More

    Mol. Formula:
    C29H19Cl2N3O3

    M.W.:
    528.40

    Type:
    Small molecule

    AlogP:
    7.54

    Polar Surface Area:
    95.08

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  19. ALA3809333

    Name:
    6-chloro-3-((E)-3-((3-((E)-2-(7-chloroquinolin-2-yl)vinyl)phenyl)amino)-3-oShow More

    Mol. Formula:
    C29H19Cl2N3O3

    M.W.:
    528.40

    Type:
    Small molecule

    AlogP:
    7.54

    Polar Surface Area:
    95.08

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  20. ALA3809556

    Name:
    5-chloro-3-((E)-3-((3-((E)-2-(7-chloroquinolin-2-yl)vinyl)phenyl)amino)-3-oShow More

    Mol. Formula:
    C29H19Cl2N3O3

    M.W.:
    528.40

    Type:
    Small molecule

    AlogP:
    7.54

    Polar Surface Area:
    95.08

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
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