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  1. ALA2112019

    Name:
    (6-Benzyloxy-7-methoxy-3,4-dihydro-isoquinolin-1-y
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    Mol. Formula:
    C24H19NO4

    M.W.:
    385.42

    Type:
    Small molecule

    AlogP:
    4.76

    Polar Surface Area:
    68.65

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  2. ALA2094055

    Name:
    7-(4-Amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-y
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    Mol. Formula:
    C26H30ClNO8

    M.W.:
    519.98

    Type:
    Small molecule

    AlogP:
    1.84

    Polar Surface Area:
    159.54

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  3. ALA2094054

    Name:
    9-Acetyl-7-(4-amino-5-hydroxy-6-methyl-tetrahydro-
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    Mol. Formula:
    C26H28ClNO9

    M.W.:
    533.96

    Type:
    Small molecule

    AlogP:
    1.02

    Polar Surface Area:
    176.61

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  4. ALA2094053

    Name:
    Phenyl-carbamic acid 4-(4-amino-5-hydroxy-6-methyl
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    Mol. Formula:
    C32H33ClN2O10

    M.W.:
    641.07

    Type:
    Small molecule

    AlogP:
    2.68

    Polar Surface Area:
    197.87

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  5. ALA2094032

    Name:
    7-(4-Amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-y
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    Mol. Formula:
    C25H28ClNO8

    M.W.:
    505.95

    Type:
    Small molecule

    AlogP:
    1.45

    Polar Surface Area:
    159.54

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  6. ALA2094031

    Name:
    7-(4-Amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-y
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    Mol. Formula:
    C26H30ClNO9

    M.W.:
    535.98

    Type:
    Small molecule

    AlogP:
    0.81

    Polar Surface Area:
    179.77

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  7. ALA2094030

    Name:
    Phenyl-carbamic acid 1-[4-(4-amino-5-hydroxy-6-met
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    Mol. Formula:
    C33H35ClN2O10

    M.W.:
    655.10

    Type:
    Small molecule

    AlogP:
    3.07

    Polar Surface Area:
    197.87

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  8. ALA2094029

    Name:
    7-(4-Amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-y
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    Mol. Formula:
    C25H28ClNO9

    M.W.:
    521.95

    Type:
    Small molecule

    AlogP:
    0.42

    Polar Surface Area:
    179.77

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  9. ALA2093889

    Name:
    Phenyl-carbamic acid 4-(4-amino-5-hydroxy-6-methyl
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    Mol. Formula:
    C32H33ClN2O9

    M.W.:
    625.07

    Type:
    Small molecule

    AlogP:
    3.71

    Polar Surface Area:
    177.64

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  10. ALA2093888

    Name:
    Phenyl-carbamic acid 4-(4-amino-5-methoxy-6-methyl
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    Mol. Formula:
    C32H33ClN2O10

    M.W.:
    641.07

    Type:
    Small molecule

    AlogP:
    2.68

    Polar Surface Area:
    197.87

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  11. ALA2093887

    Name:
    Phenyl-carbamic acid 1-[4-(4-amino-5-hydroxy-6-met
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    Mol. Formula:
    C33H35ClN2O10

    M.W.:
    655.10

    Type:
    Small molecule

    AlogP:
    3.07

    Polar Surface Area:
    197.87

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  12. ALA2093886

    Name:
    9-Acetyl-7-(4-amino-5-hydroxy-6-methyl-tetrahydro-
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    Mol. Formula:
    C26H28ClNO9

    M.W.:
    533.96

    Type:
    Small molecule

    AlogP:
    1.02

    Polar Surface Area:
    176.61

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  13. ALA2093885

    Name:
    7-(4-Amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-y
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    Mol. Formula:
    C25H28ClNO8

    M.W.:
    505.95

    Type:
    Small molecule

    AlogP:
    1.45

    Polar Surface Area:
    159.54

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  14. ALA2093884

    Name:
    7-(4-Amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-y
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    Mol. Formula:
    C26H30ClNO8

    M.W.:
    519.98

    Type:
    Small molecule

    AlogP:
    1.84

    Polar Surface Area:
    159.54

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  15. ALA2093883

    Name:
    7-(4-Amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-y
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    Mol. Formula:
    C26H30ClNO9

    M.W.:
    535.98

    Type:
    Small molecule

    AlogP:
    0.81

    Polar Surface Area:
    179.77

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  16. ALA2093882

    Name:
    7-(4-Amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-y
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    Mol. Formula:
    C25H28ClNO9

    M.W.:
    521.95

    Type:
    Small molecule

    AlogP:
    0.42

    Polar Surface Area:
    179.77

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  17. ALA538509

    Name:
    7-(4-Amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-y
    Show More

    Mol. Formula:
    C26H30ClNO9

    M.W.:
    535.98

    Type:
    Small molecule

    AlogP:
    0.81

    Polar Surface Area:
    179.77

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  18. ALA553479

    Name:
    4-(4-Amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-y
    Show More

    Mol. Formula:
    C31H31ClN2O9

    M.W.:
    611.05

    Type:
    Small molecule

    AlogP:
    2.07

    Polar Surface Area:
    188.64

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  19. ALA541306

    Name:
    9-Acetyl-7-(4-amino-5-methoxy-6-methyl-tetrahydro-
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    Mol. Formula:
    C27H30ClNO9

    M.W.:
    547.99

    Type:
    Small molecule

    AlogP:
    1.67

    Polar Surface Area:
    165.61

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  20. ALA554991

    Name:
    4-(4-Amino-5-hydroxy-6-methyl-tetrahydro-pyran-2-y
    Show More

    Mol. Formula:
    C32H33ClN2O9

    M.W.:
    625.07

    Type:
    Small molecule

    AlogP:
    1.75

    Polar Surface Area:
    188.64

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
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