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  1. ALA4877941

    Name:
    Elegansol A

    Mol. Formula:
    C20H36O2

    M.W.:
    308.51

    Type:
    Unknown

    AlogP:
    4.39

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  2. ALA4875917

    Name:
    Elegansol C

    Mol. Formula:
    C20H30O2

    M.W.:
    302.46

    Type:
    Unknown

    AlogP:
    5.04

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  3. ALA4874928

    Name:
    Sandaracopimar-8(14),15-dien-11-one

    Mol. Formula:
    C20H30O

    M.W.:
    286.46

    Type:
    Unknown

    AlogP:
    5.46

    Polar Surface Area:
    17.07

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  4. ALA4874654

    Name:
    1-(4-Chlorophenoxy)-3-(1H-1,2,4-triazol-1-yl)propa
    Show More

    Mol. Formula:
    C18H17ClN4O3

    M.W.:
    372.81

    Type:
    Unknown

    AlogP:
    3.63

    Polar Surface Area:
    78.27

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  5. ALA4874326

    Name:
    1-(1H-imidazole-1-yl)-3-phenoxypropan-2-yl (4-chlo
    Show More

    Mol. Formula:
    C19H18ClN3O3

    M.W.:
    371.82

    Type:
    Unknown

    AlogP:
    4.23

    Polar Surface Area:
    65.38

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  6. ALA4872353

    Name:
    (E)-5-chloro-N-(4-(phenyldiazenyl)phenyl)thiophene
    Show More

    Cas Number:
    902697-61-4

    Mol. Formula:
    C16H12ClN3O2S2

    M.W.:
    377.88

    Type:
    Unknown

    AlogP:
    5.62

    Polar Surface Area:
    70.89

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  7. ALA4871589

    Name:
    (E)-N-((1H-benzo[d]imidazole-2-yl)methyl)-N-(4-(ph
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    Mol. Formula:
    C26H21N5O2S

    M.W.:
    467.55

    Type:
    Unknown

    AlogP:
    6.37

    Polar Surface Area:
    90.78

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  8. ALA4871321

    Name:
    1-(1H-imidazole-1-yl)-3-phenoxypropan-2-yl (4-meth
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    Mol. Formula:
    C20H21N3O4

    M.W.:
    367.41

    Type:
    Unknown

    AlogP:
    3.59

    Polar Surface Area:
    74.61

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  9. ALA4871091

    Name:
    1-(1H-imidazole-1-yl)-3-phenoxypropan-2-yl phenylc
    Show More

    Mol. Formula:
    C19H19N3O3

    M.W.:
    337.38

    Type:
    Unknown

    AlogP:
    3.58

    Polar Surface Area:
    65.38

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  10. ALA4870604

    Name:
    (E)-2,4-dimethoxy-N-(4-(phenyldiazenyl)phenyl)benz
    Show More

    Cas Number:
    902697-75-0

    Mol. Formula:
    C20H19N3O4S

    M.W.:
    397.46

    Type:
    Unknown

    AlogP:
    4.92

    Polar Surface Area:
    89.35

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  11. ALA4870242

    Name:
    Elegansin E

    Mol. Formula:
    C17H26O4

    M.W.:
    294.39

    Type:
    Unknown

    AlogP:
    2.19

    Polar Surface Area:
    66.76

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  12. ALA4868867

    Name:
    (E)-N-((1H-benzo[d]imidazole-2-yl)methyl)-2,4-dime
    Show More

    Mol. Formula:
    C28H25N5O4S

    M.W.:
    527.61

    Type:
    Unknown

    AlogP:
    6.39

    Polar Surface Area:
    109.24

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  13. ALA5287563

    Name:
    (6S,8R,9S,10R,13S,14S)-10,13-dimethyl-6-(4-phenylb
    Show More

    Mol. Formula:
    C29H36O2

    M.W.:
    416.61

    Type:
    ---

    AlogP:
    6.50

    Polar Surface Area:
    34.14

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  14. ALA5287546

    Name:
    (6R,8R,9S,10R,13S,14S)-10,13-dimethyl-6-(5-phenylp
    Show More

    Mol. Formula:
    C30H40O2

    M.W.:
    432.65

    Type:
    ---

    AlogP:
    7.12

    Polar Surface Area:
    34.14

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  15. ALA5287480

    Name:
    (8R,9S,10S,13S,14S,17S)-17-hydroxy-10-(hydroxymeth
    Show More

    Mol. Formula:
    C19H28O3

    M.W.:
    304.43

    Type:
    ---

    AlogP:
    2.85

    Polar Surface Area:
    57.53

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  16. ALA5287473

    Name:
    (6R,8R,9S,10R,13S,14S)-10,13-dimethyl-3,17-dioxo-2
    Show More

    Mol. Formula:
    C26H38O4

    M.W.:
    414.59

    Type:
    ---

    AlogP:
    5.58

    Polar Surface Area:
    60.44

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  17. ALA5287457

    Name:
    (6-(but-2-yn-1-yloxy)benzofuran-2-yl)(2,4-dichloro
    Show More

    Mol. Formula:
    C24H17Cl2NO3

    M.W.:
    438.31

    Type:
    ---

    AlogP:
    5.82

    Polar Surface Area:
    55.49

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  18. ALA5287331

    Name:
    (2aS,6aS,6bS,8aS,11S,11aR,12aS,12bR)-10-acetyl-11-
    Show More

    Mol. Formula:
    C29H38N2O3

    M.W.:
    462.63

    Type:
    ---

    AlogP:
    5.79

    Polar Surface Area:
    58.97

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  19. ALA5287129

    Name:
    (6S,8R,9S,10R,13S,14S)-6-azido-10,13-dimethyl-3,17
    Show More

    Mol. Formula:
    C21H27N3O4

    M.W.:
    385.46

    Type:
    ---

    AlogP:
    3.92

    Polar Surface Area:
    109.20

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  20. ALA5287070

    Name:
    (2aS,6aS,6bS,8aS,11S,11aR,12aS,12bR,E)-4-ethyliden
    Show More

    Mol. Formula:
    C34H42N2

    M.W.:
    478.72

    Type:
    ---

    AlogP:
    8.82

    Polar Surface Area:
    15.60

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
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