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  1. ALA4791006

    Name:
    6-((2,3-Dimethoxyphenyl)(morpholino)methyl)-2,2-di
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    Mol. Formula:
    C20H21F2NO6

    M.W.:
    409.39

    Type:
    Unknown

    AlogP:
    3.15

    Polar Surface Area:
    69.62

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  2. ALA4790355

    Name:
    7-((4-hydroxy-3,5-dimethoxyphenyl)(5-methylpyridin
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    Mol. Formula:
    C24H23N3O4

    M.W.:
    417.47

    Type:
    Unknown

    AlogP:
    4.57

    Polar Surface Area:
    96.73

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  3. ALA4782018

    Name:
    ethyl 2-((8-hydroxyquinolin-7-yl)(phenyl)methylami
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    Cas Number:
    5335-99-9

    Mol. Formula:
    C25H22N2O3

    M.W.:
    398.46

    Type:
    Unknown

    AlogP:
    5.32

    Polar Surface Area:
    71.45

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  4. ALA4550996

    Name:
    (E)-N-(4-(3-(3-Hydroxyphenyl)acryloyl)phenyl)thiop
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    Mol. Formula:
    C20H15NO3S

    M.W.:
    349.41

    Type:
    Unknown

    AlogP:
    4.60

    Polar Surface Area:
    66.40

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  5. ALA4549234

    Name:
    (E)-3-(3-(3-Hydroxyphenyl)-3-oxoprop-1-en-1-yl)ben
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    Mol. Formula:
    C16H11NO2

    M.W.:
    249.27

    Type:
    Unknown

    AlogP:
    3.16

    Polar Surface Area:
    61.09

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  6. ALA4756890

    Name:
    7-((2-methoxyphenylamino)(phenyl)methyl)quinolin-8
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    Mol. Formula:
    C23H20N2O2

    M.W.:
    356.43

    Type:
    Unknown

    AlogP:
    5.15

    Polar Surface Area:
    54.38

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  7. ALA4777232

    Name:
    5-((4-Fluorophenyl)(piperidin-1-yl)methyl)benzo[d]
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    Mol. Formula:
    C19H19FN2OS

    M.W.:
    342.44

    Type:
    Unknown

    AlogP:
    4.72

    Polar Surface Area:
    36.36

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  8. ALA4776896

    Name:
    6-((2,2-Difluorobenzo[d][1,3]dioxol-5-yl)(piperidi
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    Mol. Formula:
    C21H19F2NO4

    M.W.:
    387.38

    Type:
    Unknown

    AlogP:
    5.04

    Polar Surface Area:
    55.07

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  9. ALA4776561

    Name:
    6-((4-Fluorophenyl)(piperidin-1-yl)methyl)-2,3-dih
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    Mol. Formula:
    C21H24FNO

    M.W.:
    325.43

    Type:
    Unknown

    AlogP:
    4.60

    Polar Surface Area:
    23.47

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  10. ALA4776335

    Name:
    1-((6-hydroxybenzo[d][1,3]dioxol-5-yl)(4-hydroxyph
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    Mol. Formula:
    C15H14N2O5

    M.W.:
    302.29

    Type:
    Unknown

    AlogP:
    1.58

    Polar Surface Area:
    114.04

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  11. ALA4776190

    Name:
    4-((4-Fluorophenyl)(piperidin-1-yl)methyl)-1H-inda
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    Mol. Formula:
    C19H20FN3O

    M.W.:
    325.39

    Type:
    Unknown

    AlogP:
    3.98

    Polar Surface Area:
    52.15

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  12. ALA4764456

    Name:
    7-((2,6-dichlorophenyl)(pyridin-2-ylamino)methyl)q
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    Mol. Formula:
    C21H15Cl2N3O

    M.W.:
    396.28

    Type:
    Unknown

    AlogP:
    5.84

    Polar Surface Area:
    58.04

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  13. ALA4541398

    Name:
    Methyl-(E)-3-(3-(4-(N,N-dibutylsulfamoyl)phenyl)-3
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    Mol. Formula:
    C25H31NO5S

    M.W.:
    457.59

    Type:
    Unknown

    AlogP:
    4.96

    Polar Surface Area:
    80.75

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  14. ALA5201508

    Name:
    Acetylvanilin

    Cas Number:
    881-68-5

    Mol. Formula:
    C10H10O4

    M.W.:
    194.19

    Type:
    ---

    AlogP:
    1.43

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  15. ALA4755661

    Name:
    7-((3-fluorophenyl)(4-methylpyridin-2-ylamino)meth
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    Mol. Formula:
    C22H18FN3O

    M.W.:
    359.40

    Type:
    Unknown

    AlogP:
    4.98

    Polar Surface Area:
    58.04

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  16. ALA4755608

    Name:
    6-((4-(Dimethylamino)phenyl)(pyrimidin-2-ylamino)m
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    Mol. Formula:
    C20H20N4O3

    M.W.:
    364.41

    Type:
    Unknown

    AlogP:
    3.18

    Polar Surface Area:
    79.74

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  17. ALA4755000

    Name:
    1-((6-hydroxybenzo[d][1,3]dioxol-5-yl)(3,4,5-trime
    Show More

    Mol. Formula:
    C19H22N2O7

    M.W.:
    390.39

    Type:
    Unknown

    AlogP:
    2.17

    Polar Surface Area:
    107.51

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  18. ALA4753733

    Name:
    6-(Piperidin-1-yl(4-(trifluoromethyl)phenyl)methyl
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    Mol. Formula:
    C21H20F3NO2

    M.W.:
    375.39

    Type:
    Unknown

    AlogP:
    5.73

    Polar Surface Area:
    36.61

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  19. ALA4753665

    Name:
    N-(4-(5,5-Difluoro-1,3,7,9-tetramethyl-5H-4(Gamma4
    Show More

    Mol. Formula:
    C39H39BF2N4O4

    M.W.:
    676.57

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  20. ALA4753606

    Name:
    6-(Piperidin-1-yl(pyridin-4-yl)methyl)benzofuran-7
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    Mol. Formula:
    C19H20N2O2

    M.W.:
    308.38

    Type:
    Unknown

    AlogP:
    4.11

    Polar Surface Area:
    49.50

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
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