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  1. ALA5283768

    Name:
    1-(8-methoxy-2-methyl-1,2,3,4-tetrahydro-5H-pyrido
    Show More

    Mol. Formula:
    C28H29N3O2S

    M.W.:
    471.63

    Type:
    ---

    AlogP:
    5.30

    Polar Surface Area:
    40.87

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  2. ALA5278371

    Name:
    1-(2-ethyl-8-fluoro-1,2,3,4-tetrahydro-5H-pyrido[4
    Show More

    Mol. Formula:
    C28H33ClFN3O

    M.W.:
    482.04

    Type:
    ---

    AlogP:
    5.05

    Polar Surface Area:
    33.33

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  3. ALA4868050

    Name:
    5,7-dibromo-1H,2H,3H-cyclopenta[b]quinolin-9-amine
    Show More

    Mol. Formula:
    C12H11Br2ClN2

    M.W.:
    378.50

    Type:
    Unknown

    AlogP:
    3.83

    Polar Surface Area:
    38.91

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  4. ALA5289632

    Name:
    1-(2-ethyl-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indo
    Show More

    Mol. Formula:
    C28H34ClN3O

    M.W.:
    464.05

    Type:
    ---

    AlogP:
    4.91

    Polar Surface Area:
    33.33

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  5. ALA5288465

    Name:
    2-(4-(4-benzylpiperazin-1-yl)butyl)-4,4a,5,6-tetra
    Show More

    Mol. Formula:
    C25H32N4OS

    M.W.:
    436.63

    Type:
    ---

    AlogP:
    3.84

    Polar Surface Area:
    39.15

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  6. ALA4858546

    Name:
    3-hydroxy-2-((1R,6R)-3-methyl-6-(prop-1-en-2-yl)cy
    Show More

    Mol. Formula:
    C30H38BrNO3

    M.W.:
    540.54

    Type:
    Unknown

    AlogP:
    8.53

    Polar Surface Area:
    49.77

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  7. ALA4791286

    Name:
    2-(2-(cyclopropanecarboxamido)pyridin-4-yl)-N-meth
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    Mol. Formula:
    C31H30N8O3S

    M.W.:
    594.70

    Type:
    Unknown

    AlogP:
    4.54

    Polar Surface Area:
    136.81

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  8. ALA4790897

    Name:
    (S)-2-Butylamino-3-(1H-indol-3-yl)-N-[2-(1-phenyl-
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    Mol. Formula:
    C28H38N4O

    M.W.:
    446.64

    Type:
    Unknown

    AlogP:
    4.89

    Polar Surface Area:
    60.16

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  9. ALA4790886

    Name:
    (S)-2-Butylamino-N-(2-cycloheptyl-ethyl)-3-(1H-ind
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    Mol. Formula:
    C24H37N3O

    M.W.:
    383.58

    Type:
    Unknown

    AlogP:
    4.95

    Polar Surface Area:
    56.92

    HBA:
    2

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  10. ALA2297278

    Name:
    2-(5-(3,7-dimethylocta-2,6-dienyl)-2-hydroxy-4-met
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    Mol. Formula:
    C26H28O6

    M.W.:
    436.50

    Type:
    Small molecule

    AlogP:
    5.82

    Polar Surface Area:
    100.13

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  11. ALA2297277

    Name:
    5'-geranyl-5,7,2',4'-tetrahydroxyflavone

    Cas Number:
    1221762-70-4

    Mol. Formula:
    C25H26O6

    M.W.:
    422.48

    Type:
    Small molecule

    AlogP:
    5.52

    Polar Surface Area:
    111.13

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  12. ALA2297276

    Name:
    kuwanonU

    Mol. Formula:
    C26H30O6

    M.W.:
    438.52

    Type:
    Small molecule

    AlogP:
    5.75

    Polar Surface Area:
    96.22

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  13. ALA4548238

    Name:
    (-)-3-Oxoelaeocarpine

    Mol. Formula:
    C16H17NO3

    M.W.:
    271.32

    Type:
    Unknown

    AlogP:
    1.95

    Polar Surface Area:
    46.61

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.72

    DETAILS
  14. ALA4550657

    Name:
    4'-hydroxyisolonchocarpin

    Mol. Formula:
    C20H18O4

    M.W.:
    322.36

    Type:
    Unknown

    AlogP:
    4.28

    Polar Surface Area:
    55.76

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  15. ALA4777926

    Name:
    2-(2-(cyclopropanecarboxamido)pyridin-4-yl)-N-meth
    Show More

    Mol. Formula:
    C32H32N8O4S

    M.W.:
    624.73

    Type:
    Unknown

    AlogP:
    4.52

    Polar Surface Area:
    146.04

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  16. ALA4777788

    Name:
    2-(2-(2-((2-((6-chloro-1,2,3,4-tetrahydroacridin-9
    Show More

    Mol. Formula:
    C31H34ClN7O3S

    M.W.:
    620.18

    Type:
    Unknown

    AlogP:
    5.07

    Polar Surface Area:
    130.16

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  17. ALA4776346

    Name:
    (S)-1-(4-Benzyl-piperidin-1-yl)-2-dibutylamino-3-(
    Show More

    Mol. Formula:
    C31H43N3O

    M.W.:
    473.71

    Type:
    Unknown

    AlogP:
    6.46

    Polar Surface Area:
    39.34

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  18. ALA4541155

    Name:
    1-((4-(benzoxazole-2-yl)phenyl)amino)-3-((4-isopro
    Show More

    Mol. Formula:
    C25H27N3O2

    M.W.:
    401.51

    Type:
    Unknown

    AlogP:
    5.50

    Polar Surface Area:
    70.32

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  19. ALA5277140

    Name:
    1-(2-methyl-1,2,3,4-tetrahydro-5H-pyrido[4,3-b]ind
    Show More

    Mol. Formula:
    C27H32ClN3O

    M.W.:
    450.03

    Type:
    ---

    AlogP:
    4.52

    Polar Surface Area:
    33.33

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  20. ALA5271548

    Name:
    1-(2-ethyl-8-methyl-1,2,3,4-tetrahydro-5H-pyrido[4
    Show More

    Mol. Formula:
    C29H36ClN3O

    M.W.:
    478.08

    Type:
    ---

    AlogP:
    5.22

    Polar Surface Area:
    33.33

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
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