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  1. ALA1078270

    Name:
    N-(4-fluorophenyl)-5-((2,3,4,5-tetrahydro-1H-benzo
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    Mol. Formula:
    C23H22FN3O3S

    M.W.:
    439.51

    Type:
    Small molecule

    AlogP:
    3.14

    Polar Surface Area:
    88.16

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  2. ALA1077736

    Name:
    7-((4-butylphenylsulfonyl)methyl)-2,3,4,5-tetrahyd
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    Mol. Formula:
    C21H27NO2S

    M.W.:
    357.52

    Type:
    Small molecule

    AlogP:
    3.69

    Polar Surface Area:
    46.17

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  3. ALA1077734

    Name:
    N-methyl-6-morpholino-N-((2,3,4,5-tetrahydro-1H-be
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    Mol. Formula:
    C22H28N4O2

    M.W.:
    380.49

    Type:
    Small molecule

    AlogP:
    1.88

    Polar Surface Area:
    57.70

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  4. ALA1077733

    Name:
    N-methyl-6-morpholino-N-(2,3,4,5-tetrahydro-1H-ben
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    Mol. Formula:
    C21H26N4O2

    M.W.:
    366.47

    Type:
    Small molecule

    AlogP:
    1.88

    Polar Surface Area:
    57.70

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.90

    DETAILS
  5. ALA1078639

    Name:
    N-(6-morpholinopyridin-3-yl)-2,3,4,5-tetrahydro-1H
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    Mol. Formula:
    C20H24N4O2

    M.W.:
    352.44

    Type:
    Small molecule

    AlogP:
    1.86

    Polar Surface Area:
    66.49

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  6. ALA1078540

    Name:
    6-morpholino-N-(2,3,4,5-tetrahydro-1H-benzo[d]azep
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    Mol. Formula:
    C20H24N4O2

    M.W.:
    352.44

    Type:
    Small molecule

    AlogP:
    1.86

    Polar Surface Area:
    66.49

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  7. ALA1079262

    Name:
    N-(6-morpholinopyridin-3-yl)-2,3,4,5-tetrahydro-1H
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    Mol. Formula:
    C19H24N4O3S

    M.W.:
    388.49

    Type:
    Small molecule

    AlogP:
    1.41

    Polar Surface Area:
    83.56

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  8. ALA1079261

    Name:
    4-butyl-N-methyl-N-(2,3,4,5-tetrahydro-1H-benzo[d]
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    Mol. Formula:
    C21H28N2O2S

    M.W.:
    372.53

    Type:
    Small molecule

    AlogP:
    3.54

    Polar Surface Area:
    49.41

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  9. ALA1079260

    Name:
    6-morpholino-N-(2,3,4,5-tetrahydro-1H-benzo[d]azep
    Show More

    Mol. Formula:
    C19H24N4O3S

    M.W.:
    388.49

    Type:
    Small molecule

    AlogP:
    1.41

    Polar Surface Area:
    83.56

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  10. ALA1079868

    Name:
    4-butyl-N-(3-((1-methyl-1H-imidazol-5-yl)methyl)-2
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    Mol. Formula:
    C25H32N4O2S

    M.W.:
    452.62

    Type:
    Small molecule

    AlogP:
    4.16

    Polar Surface Area:
    67.23

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  11. ALA1078807

    Name:
    N-(3-benzyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7
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    Mol. Formula:
    C27H32N2O2S

    M.W.:
    448.63

    Type:
    Small molecule

    AlogP:
    5.43

    Polar Surface Area:
    49.41

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  12. ALA1078863

    Name:
    N-(3-(1-acetylpiperidin-4-yl)-2,3,4,5-tetrahydro-1
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    Mol. Formula:
    C27H37N3O3S

    M.W.:
    483.68

    Type:
    Small molecule

    AlogP:
    4.24

    Polar Surface Area:
    69.72

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  13. ALA1078587

    Name:
    4-butyl-N-(3-(1-methylpiperidin-4-yl)-2,3,4,5-tetr
    Show More

    Mol. Formula:
    C26H37N3O2S

    M.W.:
    455.67

    Type:
    Small molecule

    AlogP:
    4.32

    Polar Surface Area:
    52.65

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  14. ALA5203126

    Name:
    (trans)-(S)-4-(5-(hydroxymethyl)-2-methylphenoxy)-
    Show More

    Mol. Formula:
    C29H41N3O3

    M.W.:
    479.67

    Type:
    ---

    AlogP:
    4.19

    Polar Surface Area:
    65.04

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  15. Type:
    ---

    AlogP:
    3.88

    Polar Surface Area:
    65.04

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  16. ALA5197045

    Name:
    (trans)-(S)-4-(4-fluorophenoxy)-N-methyl-N-(4-((3-
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    Mol. Formula:
    C26H34FN3O2

    M.W.:
    439.58

    Type:
    ---

    AlogP:
    4.22

    Polar Surface Area:
    44.81

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  17. ALA5196982

    Name:
    (trans)-(S)-4-(3-(2-hydroxyethyl)phenoxy)-N-methyl
    Show More

    Mol. Formula:
    C29H41N3O3

    M.W.:
    479.67

    Type:
    ---

    AlogP:
    3.92

    Polar Surface Area:
    65.04

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  18. ALA5196819

    Name:
    (trans)-(S)-4-(2-cyanopyridin-4-yloxy)-N-(4-((3-et
    Show More

    Mol. Formula:
    C28H37N5O2

    M.W.:
    475.64

    Type:
    ---

    AlogP:
    4.05

    Polar Surface Area:
    81.49

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  19. ALA5192584

    Name:
    (trans)-(S)-4-(3-(ethoxymethyl)phenylamino)-N-meth
    Show More

    Mol. Formula:
    C30H44N4O2

    M.W.:
    492.71

    Type:
    ---

    AlogP:
    4.96

    Polar Surface Area:
    56.84

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  20. ALA5192530

    Name:
    (trans)-(S)-4-(3-(2-(isopropylamino)-2-oxoethyl)ph
    Show More

    Mol. Formula:
    C32H46N4O3

    M.W.:
    534.75

    Type:
    ---

    AlogP:
    4.46

    Polar Surface Area:
    73.91

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
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