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  1. ALA4213713

    Name:
    Andrographolide-14-propionate

    Mol. Formula:
    C23H34O6

    M.W.:
    406.52

    Type:
    Small molecule

    AlogP:
    2.92

    Polar Surface Area:
    93.06

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  2. ALA2408961

    Name:
    (2,6-dibromo-3,5-dihydroxyphenyl)(3,5-dichloro-2-hydroxy-6-methoxy-4-methylShow More

    Mol. Formula:
    C15H10Br2Cl2O5

    M.W.:
    500.95

    Type:
    Small molecule

    AlogP:
    5.18

    Polar Surface Area:
    86.99

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  3. ALA2408960

    Name:
    2-(3,5-dichloro-2-hydroxy-6-methoxy-4-methylbenzoyl)-4,6-dimethoxy-3-(3-metShow More

    Mol. Formula:
    C23H24Cl2O6

    M.W.:
    467.35

    Type:
    Small molecule

    AlogP:
    5.59

    Polar Surface Area:
    82.06

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  4. ALA2408959

    Name:
    rac-Pestalalactone

    Mol. Formula:
    C21H20Cl2O6

    M.W.:
    439.29

    Type:
    Small molecule

    AlogP:
    5.20

    Polar Surface Area:
    96.22

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  5. ALA2408956

    Name:
    (2-bromo-3,5-dimethoxy-6-(3-methylbut-2-enyl)phenyl)(3,5-dichloro-2,6-dimetShow More

    Mol. Formula:
    C23H25BrCl2O5

    M.W.:
    532.26

    Type:
    Small molecule

    AlogP:
    6.84

    Polar Surface Area:
    53.99

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  6. ALA2408955

    Name:
    (2,6-dibromo-3,5-dimethoxyphenyl)(3,5-dichloro-2,6-dimethoxy-4-methylphenylShow More

    Mol. Formula:
    C18H16Br2Cl2O5

    M.W.:
    543.03

    Type:
    Small molecule

    AlogP:
    6.09

    Polar Surface Area:
    53.99

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  7. ALA2261386

    Name:
    4-(3-{4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}-4,5-dihydroisoxazol-5-ylmethShow More

    Mol. Formula:
    C26H28N2O4

    M.W.:
    432.52

    Type:
    Small molecule

    AlogP:
    4.72

    Polar Surface Area:
    73.17

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  8. ALA1689198

    Name:
    Comazaphilone D

    Mol. Formula:
    C21H22O7

    M.W.:
    386.40

    Type:
    Small molecule

    AlogP:
    2.44

    Polar Surface Area:
    113.29

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  9. ALA1241535

    Name:
    (E)-2-((1-Benzylpiperidin-4-ylimino)methyl)-4-fluorophenol

    Mol. Formula:
    C19H21FN2O

    M.W.:
    312.39

    Type:
    Small molecule

    AlogP:
    3.61

    Polar Surface Area:
    35.83

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.88

    DETAILS
  10. ALA1241110

    Name:
    (E)-4-Fluoro-2-((pyridin-2-ylimino)methyl)phenol

    Mol. Formula:
    C12H9FN2O

    M.W.:
    216.22

    Type:
    Small molecule

    AlogP:
    2.68

    Polar Surface Area:
    45.48

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.78

    DETAILS
  11. ALA1241109

    Name:
    (E)-2-((2-Chlorophenylimino)methyl)-6-fluorophenol

    Mol. Formula:
    C13H9ClFNO

    M.W.:
    249.67

    Type:
    Small molecule

    AlogP:
    3.94

    Polar Surface Area:
    32.59

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  12. ALA1241108

    Name:
    (E)-2-Fluoro-6-((2-fluorophenylimino)methyl)phenol

    Mol. Formula:
    C13H9F2NO

    M.W.:
    233.22

    Type:
    Small molecule

    AlogP:
    3.42

    Polar Surface Area:
    32.59

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  13. ALA1241045

    Name:
    (E)-4-fluoro-2-((4-nitrophenylimino)methyl)phenol

    Mol. Formula:
    C13H9FN2O3

    M.W.:
    260.22

    Type:
    Small molecule

    AlogP:
    3.19

    Polar Surface Area:
    75.73

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  14. ALA1241044

    Name:
    (E)-2-Fluoro-6-((4-hydroxyphenylimino)methyl)phenol

    Mol. Formula:
    C13H10FNO2

    M.W.:
    231.23

    Type:
    Small molecule

    AlogP:
    2.99

    Polar Surface Area:
    52.82

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.78

    DETAILS
  15. ALA1241043

    Name:
    (E)-2-((4-Bromophenylimino)methyl)-6-fluorophenol

    Mol. Formula:
    C13H9BrFNO

    M.W.:
    294.12

    Type:
    Small molecule

    AlogP:
    4.04

    Polar Surface Area:
    32.59

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  16. ALA1241042

    Name:
    (E)-2-((4-Chlorophenylimino)methyl)-6-fluorophenol

    Mol. Formula:
    C13H9ClFNO

    M.W.:
    249.67

    Type:
    Small molecule

    AlogP:
    3.94

    Polar Surface Area:
    32.59

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  17. ALA1240984

    Name:
    (E)-2-Fluoro-6-((4-fluorophenylimino)methyl)phenol

    Mol. Formula:
    C13H9F2NO

    M.W.:
    233.22

    Type:
    Small molecule

    AlogP:
    3.42

    Polar Surface Area:
    32.59

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  18. ALA1240983

    Name:
    (E)-2-Fluoro-6-((4-isopropylphenylimino)methyl)phenol

    Mol. Formula:
    C16H16FNO

    M.W.:
    257.31

    Type:
    Small molecule

    AlogP:
    4.41

    Polar Surface Area:
    32.59

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  19. ALA1240982

    Name:
    (E)-2-Fluoro-6-((p-tolylimino)methyl)phenol

    Mol. Formula:
    C14H12FNO

    M.W.:
    229.25

    Type:
    Small molecule

    AlogP:
    3.59

    Polar Surface Area:
    32.59

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  20. ALA1240981

    Name:
    (E)-4-Fluoro-2-((4-hydroxyphenethylimino)methyl)phenol

    Mol. Formula:
    C15H14FNO2

    M.W.:
    259.28

    Type:
    Small molecule

    AlogP:
    2.90

    Polar Surface Area:
    52.82

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
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