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  1. ALA4475823

    Name:
    9-(6-(dimethylamino)pyridin-3-yl)-1-(3-(trifluorom
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    Mol. Formula:
    C26H19F3N4O

    M.W.:
    460.46

    Type:
    Unknown

    AlogP:
    5.69

    Polar Surface Area:
    51.02

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  2. ALA4540379

    Name:
    9-(2-Oxoindolin-5-yl)-1-(3-(trifluoromethyl)phenyl
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    Mol. Formula:
    C27H16F3N3O2

    M.W.:
    471.44

    Type:
    Unknown

    AlogP:
    5.72

    Polar Surface Area:
    63.99

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  3. ALA4525212

    Name:
    N-(5-(2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dihy
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    Mol. Formula:
    C27H19F3N4O2

    M.W.:
    488.47

    Type:
    Unknown

    AlogP:
    5.97

    Polar Surface Area:
    76.88

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  4. ALA4533872

    Name:
    9-(6-(pyrrolidin-1-yl)pyridin-3-yl)-1-(3-(trifluor
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    Mol. Formula:
    C28H21F3N4O

    M.W.:
    486.50

    Type:
    Unknown

    AlogP:
    6.22

    Polar Surface Area:
    51.02

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  5. ALA4531023

    Name:
    N-(2-((3-Acetylphenyl)(2-hydroxyethyl)amino)-4'-me
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    Mol. Formula:
    C19H20N4O3S2

    M.W.:
    416.53

    Type:
    Unknown

    AlogP:
    3.87

    Polar Surface Area:
    95.42

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  6. ALA4559116

    Name:
    8-(Quinolin-3-yl)-1-(3-(trifluoromethyl)phenyl)oxa
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    Mol. Formula:
    C26H14F3N3O2

    M.W.:
    457.41

    Type:
    Unknown

    AlogP:
    6.37

    Polar Surface Area:
    60.92

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  7. ALA4518633

    Name:
    (E)-4-(6-(3-aminophenyl)-4-((3-(trifluoromethyl)ph
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    Mol. Formula:
    C26H20F3N3O

    M.W.:
    447.46

    Type:
    Unknown

    AlogP:
    6.85

    Polar Surface Area:
    68.01

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  8. ALA4548073

    Name:
    (E)-3-(2-oxo-1-(3-(trifluoromethyl)phenyl)-1,2-dih
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    Mol. Formula:
    C20H10F3N3O2

    M.W.:
    381.31

    Type:
    Unknown

    AlogP:
    4.69

    Polar Surface Area:
    71.82

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  9. ALA4744198

    Name:
    N-(2-(Diethylamino)ethyl)-2-(pentyloxy)quinoline-4
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    Mol. Formula:
    C21H31N3O2

    M.W.:
    357.50

    Type:
    Unknown

    AlogP:
    3.88

    Polar Surface Area:
    54.46

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  10. ALA4744176

    Name:
    (1R,2R,3S,4R,5S)-4-(6-((R)-1-cyclopropyl-2-methylp
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    Mol. Formula:
    C20H29N5O3S

    M.W.:
    419.55

    Type:
    Unknown

    AlogP:
    1.67

    Polar Surface Area:
    116.32

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  11. ALA4743059

    Name:
    (1R,2R,3S,4R,5S)-4-(6-((R)-1-cyclopropyl-2-methylp
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    Mol. Formula:
    C19H26IN5O3

    M.W.:
    499.35

    Type:
    Unknown

    AlogP:
    1.55

    Polar Surface Area:
    116.32

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  12. ALA4765004

    Name:
    2-Butoxy-N-(2-(pyrrolidin-1-yl)ethyl)quinoline-4-c
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    Cas Number:
    67547-91-5

    Mol. Formula:
    C20H27N3O2

    M.W.:
    341.46

    Type:
    Unknown

    AlogP:
    3.24

    Polar Surface Area:
    54.46

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  13. ALA4576178

    Name:
    methyl (E)-3-(2-oxo-1-(3-(trifluoromethyl)phenyl)-
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    Mol. Formula:
    C21H13F3N2O4

    M.W.:
    414.34

    Type:
    Unknown

    AlogP:
    4.34

    Polar Surface Area:
    74.33

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  14. ALA4575223

    Name:
    (E)-4-(6-(6-fluoropyridin-3-yl)-4-((3-(trifluorome
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    Mol. Formula:
    C25H17F4N3O

    M.W.:
    451.42

    Type:
    Unknown

    AlogP:
    6.80

    Polar Surface Area:
    54.88

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  15. ALA4574879

    Name:
    3-((4'-Methyl-2'-pivalamido-[4,5'-bithiazol]-2-yl)
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    Mol. Formula:
    C15H20N4O3S2

    M.W.:
    368.48

    Type:
    Unknown

    AlogP:
    3.45

    Polar Surface Area:
    104.21

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  16. ALA4574818

    Name:
    N-(2-((3-Acetylphenyl)(2-hydroxyethyl)amino)-4'-me
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    Mol. Formula:
    C22H26N4O3S2

    M.W.:
    458.61

    Type:
    Unknown

    AlogP:
    4.89

    Polar Surface Area:
    95.42

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  17. ALA4573610

    Name:
    9-(6-Fluoropyridin-3-yl)-1-(3-(trifluoromethyl)phe
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    Mol. Formula:
    C24H13F4N3O

    M.W.:
    435.38

    Type:
    Unknown

    AlogP:
    5.76

    Polar Surface Area:
    47.78

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  18. ALA4760461

    Name:
    (1R,2R,3S,4R,5S)-4-(2-chloro-6-((S)-1-cyclopropyl-
    Show More

    Mol. Formula:
    C19H26ClN5O4

    M.W.:
    423.90

    Type:
    Unknown

    AlogP:
    0.72

    Polar Surface Area:
    136.55

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  19. ALA4758940

    Name:
    N-(2-(Dimethylamino)ethyl)-2-(hexyloxy)quinoline-4
    Show More

    Mol. Formula:
    C20H29N3O2

    M.W.:
    343.47

    Type:
    Unknown

    AlogP:
    3.49

    Polar Surface Area:
    54.46

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  20. ALA4757250

    Name:
    2-Propoxy-N-propylquinoline-4-carboxamide

    Mol. Formula:
    C16H20N2O2

    M.W.:
    272.35

    Type:
    Unknown

    AlogP:
    3.16

    Polar Surface Area:
    51.22

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
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