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  1. ALA4513945

    Name:
    (1R,2R,4aS,5R,8aS)-5-(3-(4-fluorophenyl)allyl)-1-(
    Show More

    Mol. Formula:
    C23H31FO2

    M.W.:
    358.50

    Type:
    Unknown

    AlogP:
    4.97

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  2. ALA4513350

    Name:
    NA

    Mol. Formula:
    C28H34O9

    M.W.:
    514.57

    Type:
    Unknown

    AlogP:
    2.57

    Polar Surface Area:
    135.66

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  3. ALA4513272

    Name:
    (Z)-5-(1-(3,4-Dimethoxyphenyl)-2-(3,4,5-trimethoxy
    Show More

    Mol. Formula:
    C20H22N4O5

    M.W.:
    398.42

    Type:
    Unknown

    AlogP:
    2.83

    Polar Surface Area:
    100.61

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  4. ALA4476636

    Name:
    3-(3-(allyloxy)-4-(3-(4-methoxy-3-nitrophenyl)-3-o
    Show More

    Mol. Formula:
    C31H31N3O9

    M.W.:
    589.60

    Type:
    Unknown

    AlogP:
    5.65

    Polar Surface Area:
    147.49

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  5. ALA4475774

    Name:
    Capillarisin

    Cas Number:
    56365-38-9

    Mol. Formula:
    C16H12O7

    M.W.:
    316.26

    Type:
    Unknown

    AlogP:
    2.71

    Polar Surface Area:
    109.36

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  6. ALA4475134

    Name:
    4,4'-dihydroxytolan

    Cas Number:
    22608-45-3

    Mol. Formula:
    C14H10O2

    M.W.:
    210.23

    Type:
    Unknown

    AlogP:
    2.50

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.66

    DETAILS
  7. ALA4540096

    Name:
    6-Hydroxy-N-(3-methoxyphenethyl)-4-oxo-1,3-dipheny
    Show More

    Mol. Formula:
    C26H23N3O4S

    M.W.:
    473.55

    Type:
    Unknown

    AlogP:
    4.04

    Polar Surface Area:
    85.49

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  8. ALA4537358

    Name:
    NA

    Mol. Formula:
    C19H14FN5O2

    M.W.:
    363.35

    Type:
    Unknown

    AlogP:
    2.39

    Polar Surface Area:
    92.67

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  9. ALA4536518

    Name:
    NA

    Mol. Formula:
    C25H25N7O5

    M.W.:
    503.52

    Type:
    Unknown

    AlogP:
    1.59

    Polar Surface Area:
    123.74

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  10. ALA4525002

    Name:
    1-Phenyl-4-(4-(2-((5,6,7,8-tetrahydronaphthalen-1-
    Show More

    Mol. Formula:
    C29H36Cl2N2O

    M.W.:
    499.53

    Type:
    Unknown

    AlogP:
    5.51

    Polar Surface Area:
    15.71

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  11. ALA4534752

    Name:
    3-[(1-benzyltriazol-4-yl)methyl]-5-(p-tolyl)-1,3,4
    Show More

    Mol. Formula:
    C19H17N5O2

    M.W.:
    347.38

    Type:
    Unknown

    AlogP:
    2.50

    Polar Surface Area:
    78.74

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  12. ALA4534162

    Name:
    4-(2-((1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethy
    Show More

    Mol. Formula:
    C19H27NO4S

    M.W.:
    365.50

    Type:
    Unknown

    AlogP:
    2.99

    Polar Surface Area:
    86.63

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  13. ALA4533819

    Name:
    5-(1-(3,5-dimethoxybenzyl)-1H-indazol-6-yl)-1-meth
    Show More

    Mol. Formula:
    C23H24N4O3

    M.W.:
    404.47

    Type:
    Unknown

    AlogP:
    3.51

    Polar Surface Area:
    70.31

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  14. ALA4532318

    Name:
    6-Hydroxy-4-oxo-1,3-diphenyl-2-thioxo-N-(3-(triflu
    Show More

    Mol. Formula:
    C24H16F3N3O4S

    M.W.:
    499.47

    Type:
    Unknown

    AlogP:
    5.21

    Polar Surface Area:
    85.49

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  15. ALA4531484

    Name:
    NA

    Mol. Formula:
    C26H25N5O6

    M.W.:
    503.52

    Type:
    Unknown

    AlogP:
    2.82

    Polar Surface Area:
    132.28

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  16. ALA4531481

    Name:
    (Z)-5-(2-(4-Methoxyphenyl)-1-(3,4,5-trimethoxyphen
    Show More

    Mol. Formula:
    C19H20N4O4

    M.W.:
    368.39

    Type:
    Unknown

    AlogP:
    2.82

    Polar Surface Area:
    91.38

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  17. ALA4558774

    Name:
    1-Phenyl-4-(4-(2-((5,6,7,8-tetrahydronaphthalen-2-
    Show More

    Mol. Formula:
    C29H36Cl2N2O

    M.W.:
    499.53

    Type:
    Unknown

    AlogP:
    5.51

    Polar Surface Area:
    15.71

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  18. ALA4556544

    Name:
    3-(3-(allyloxy)-4-(3-(3-amino-4,5-dimethoxyphenyl)
    Show More

    Mol. Formula:
    C32H35N3O8

    M.W.:
    589.65

    Type:
    Unknown

    AlogP:
    5.34

    Polar Surface Area:
    139.60

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  19. ALA4554757

    Name:
    Eutypellacytosporin D

    Mol. Formula:
    C40H58O11

    M.W.:
    714.89

    Type:
    Unknown

    AlogP:
    4.80

    Polar Surface Area:
    153.51

    HBA:
    11

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  20. ALA4568864

    Name:
    (2-phenylimidazo[1,2-a]pyridin-3-yl)(1-(3,4,5-trim
    Show More

    Mol. Formula:
    C26H23N5O4

    M.W.:
    469.50

    Type:
    Unknown

    AlogP:
    3.90

    Polar Surface Area:
    92.77

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
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