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  1. ALA138909

    Name:
    6-Methoxy-1,1,4,4-tetramethyl-isochroman-7-carboxy
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    Mol. Formula:
    C24H28O6

    M.W.:
    412.48

    Type:
    Small molecule

    AlogP:
    4.63

    Polar Surface Area:
    71.06

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  2. ALA136640

    Name:
    Terephthalic acid 1-methyl ester 4-(2,4,4,5,7-pent
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    Mol. Formula:
    C23H24O5

    M.W.:
    380.44

    Type:
    Small molecule

    AlogP:
    4.88

    Polar Surface Area:
    61.83

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  3. ALA138844

    Name:
    4-[(4,4-Dimethyl-chroman-6-carbonyl)-methoxy-amino
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    Mol. Formula:
    C21H23NO5

    M.W.:
    369.42

    Type:
    Small molecule

    AlogP:
    3.74

    Polar Surface Area:
    65.07

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  4. ALA139536

    Name:
    N-(2,2,4,4-Tetramethyl-thiochroman-6-yl)-terephtha
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    Mol. Formula:
    C22H25NO3S

    M.W.:
    383.51

    Type:
    Small molecule

    AlogP:
    5.28

    Polar Surface Area:
    55.40

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  5. ALA341704

    Name:
    4-iminomethylphenyl 4,4-dimethyl-6-chromanecarboxy
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    Mol. Formula:
    C20H21N3O3S

    M.W.:
    383.47

    Type:
    Small molecule

    AlogP:
    3.54

    Polar Surface Area:
    86.27

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  6. ALA138881

    Name:
    Terephthalic acid 1-(2,2,4,4,5,7-hexamethyl-chroma
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    Mol. Formula:
    C24H28O5

    M.W.:
    396.48

    Type:
    Small molecule

    AlogP:
    5.15

    Polar Surface Area:
    61.83

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  7. ALA139960

    Name:
    (2E,4E,6E)-7-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-3
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    Mol. Formula:
    C19H22O4

    M.W.:
    314.38

    Type:
    Small molecule

    AlogP:
    3.93

    Polar Surface Area:
    44.76

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  8. ALA139100

    Name:
    3-Methoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-n
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    Mol. Formula:
    C25H30O5

    M.W.:
    410.51

    Type:
    Small molecule

    AlogP:
    5.44

    Polar Surface Area:
    61.83

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  9. ALA120210

    Name:
    1-Isopropyl-4,4-dimethyl-1,2,3,4-tetrahydro-quinol
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    Mol. Formula:
    C24H29NO4

    M.W.:
    395.50

    Type:
    Small molecule

    AlogP:
    4.98

    Polar Surface Area:
    55.84

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  10. ALA331642

    Name:
    1,4,4,7-Tetramethyl-1,2,3,4-tetrahydro-quinoline-6
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    Mol. Formula:
    C23H27NO4

    M.W.:
    381.47

    Type:
    Small molecule

    AlogP:
    4.51

    Polar Surface Area:
    55.84

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  11. ALA120980

    Name:
    4-[(E)-2-(2-Octyl-thiochroman-6-yl)-propenyl]-benz
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    Mol. Formula:
    C29H38O2S

    M.W.:
    450.69

    Type:
    Small molecule

    AlogP:
    8.58

    Polar Surface Area:
    26.30

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  12. ALA122529

    Name:
    4,4-Dimethyl-chroman-6-carboxylic acid 4-ethoxycar
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    Mol. Formula:
    C21H22O5

    M.W.:
    354.40

    Type:
    Small molecule

    AlogP:
    4.14

    Polar Surface Area:
    61.83

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  13. ALA422607

    Name:
    1,4,4-Trimethyl-1,2,3,4-tetrahydro-quinoline-6-car
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    Mol. Formula:
    C22H25NO4

    M.W.:
    367.45

    Type:
    Small molecule

    AlogP:
    4.20

    Polar Surface Area:
    55.84

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
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