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  1. ALA5287439

    Name:
    (5-chloro-2-methyl-1H-indol-1-yl)(4-methoxyphenyl)methanone

    Mol. Formula:
    C17H14ClNO2

    M.W.:
    299.76

    Type:
    ---

    AlogP:
    4.30

    Polar Surface Area:
    31.23

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  2. ALA4287753

    Name:
    5-Bromo-N-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazin-Show More

    Mol. Formula:
    C17H17BrN2O6S

    M.W.:
    457.30

    Type:
    Small molecule

    AlogP:
    3.07

    Polar Surface Area:
    113.96

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  3. ALA1669288

    Name:
    1-(4-hydroxy-2,3-dimethylphenyl)propan-1-one

    Mol. Formula:
    C11H14O2

    M.W.:
    178.23

    Type:
    Small molecule

    AlogP:
    2.60

    Polar Surface Area:
    37.30

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.71

    DETAILS
  4. ALA1669287

    Name:
    1-(4-hydroxy-2-methylphenyl)propan-1-one

    Mol. Formula:
    C10H12O2

    M.W.:
    164.20

    Type:
    Small molecule

    AlogP:
    2.29

    Polar Surface Area:
    37.30

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.68

    DETAILS
  5. ALA1669286

    Name:
    ethyl 2-(3-methyl-4-propionylphenoxy)acetate

    Mol. Formula:
    C14H18O4

    M.W.:
    250.29

    Type:
    Small molecule

    AlogP:
    2.53

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  6. ALA1667879

    Name:
    ethyl 2-(4-butyryl-2,3-dimethylphenoxy)acetate

    Mol. Formula:
    C16H22O4

    M.W.:
    278.35

    Type:
    Small molecule

    AlogP:
    3.23

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  7. ALA1669285

    Name:
    ethyl 2-(2,3-dimethyl-4-propionylphenoxy)acetate

    Mol. Formula:
    C15H20O4

    M.W.:
    264.32

    Type:
    Small molecule

    AlogP:
    2.84

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  8. ALA1669284

    Name:
    2-(4-butyryl-2,3-dimethylphenoxy)acetic acid

    Mol. Formula:
    C14H18O4

    M.W.:
    250.29

    Type:
    Small molecule

    AlogP:
    2.75

    Polar Surface Area:
    63.60

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  9. ALA1669283

    Name:
    2-(2,3-dimethyl-4-propionylphenoxy)acetic acid

    Mol. Formula:
    C13H16O4

    M.W.:
    236.27

    Type:
    Small molecule

    AlogP:
    2.36

    Polar Surface Area:
    63.60

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
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