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  1. ALA4520243

    Name:
    diisopropyl (6-ethyl-2-methyl-4-oxothieno[2,3-d]py
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    Mol. Formula:
    C22H29N4O6PS

    M.W.:
    508.54

    Type:
    Unknown

    AlogP:
    5.52

    Polar Surface Area:
    125.59

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  2. ALA4535457

    Name:
    5,15-Di((3-carboxypropoxyl)phenyl)chlorin

    Mol. Formula:
    C40H36N4O6

    M.W.:
    668.75

    Type:
    Unknown

    AlogP:
    8.09

    Polar Surface Area:
    150.42

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  3. ALA4569987

    Name:
    5,15-Di((3-carboxymethoxyl)phenyl)chlorin

    Mol. Formula:
    C36H28N4O6

    M.W.:
    612.64

    Type:
    Unknown

    AlogP:
    6.53

    Polar Surface Area:
    150.42

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  4. ALA4526204

    Name:
    (E)-3-(4-(3-(4-methoxyphenyl)acryloyl)phenoxy)prop
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    Mol. Formula:
    C25H30N2O3S2

    M.W.:
    470.66

    Type:
    Unknown

    AlogP:
    4.63

    Polar Surface Area:
    42.01

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  5. ALA4516354

    Name:
    5,15-Di((3-carboxypropoxyl-4-methoxyl)phenyl)bacte
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    Mol. Formula:
    C42H42N4O8

    M.W.:
    730.82

    Type:
    Unknown

    AlogP:
    7.72

    Polar Surface Area:
    168.88

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  6. ALA4514770

    Name:
    5,15-Di((3-carboxypropoxyl)phenyl)bacteriochlorin

    Mol. Formula:
    C40H38N4O6

    M.W.:
    670.77

    Type:
    Unknown

    AlogP:
    7.71

    Polar Surface Area:
    150.42

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  7. ALA4548859

    Name:
    5,15-Di((3-carboxypropoxyl-4-methoxyl)phenyl)chlor
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    Mol. Formula:
    C42H40N4O8

    M.W.:
    728.80

    Type:
    Unknown

    AlogP:
    8.11

    Polar Surface Area:
    168.88

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  8. ALA4744562

    Name:
    (4aR,6R,6aR,9S,11S,11bS,12R,14R)-11b-(acetoxymethy
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    Mol. Formula:
    C31H40O9

    M.W.:
    556.65

    Type:
    Unknown

    AlogP:
    3.49

    Polar Surface Area:
    128.59

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  9. ALA4742820

    Name:
    1-(Naphthalen-1-yl)-3-(2-(7-oxo-5-(propylthio)-6,7
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    Mol. Formula:
    C20H21N7OS2

    M.W.:
    439.57

    Type:
    Unknown

    AlogP:
    3.16

    Polar Surface Area:
    100.52

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  10. ALA4776117

    Name:
    (4aR,6R,6aR,9S,11S,11bS,12R,14R)-11b-(acetoxymethy
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    Mol. Formula:
    C31H40O7

    M.W.:
    524.65

    Type:
    Unknown

    AlogP:
    3.79

    Polar Surface Area:
    110.13

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  11. ALA4763280

    Name:
    (4aR,6R,6aR,9S,11S,11bS,12R,14R)-11b-(acetoxymethy
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    Mol. Formula:
    C29H35ClO7

    M.W.:
    531.05

    Type:
    Unknown

    AlogP:
    4.13

    Polar Surface Area:
    110.13

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  12. ALA4759269

    Name:
    (4aR,6R,6aR,9S,11S,11bS,12R,14R)-11b-(acetoxymethy
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    Mol. Formula:
    C30H37BrO7

    M.W.:
    589.52

    Type:
    Unknown

    AlogP:
    4.37

    Polar Surface Area:
    110.13

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  13. ALA4759146

    Name:
    (4aR,6R,6aR,9S,11S,11bS,12R,14R)-11b-(acetoxymethy
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    Mol. Formula:
    C29H35ClO7

    M.W.:
    531.05

    Type:
    Unknown

    AlogP:
    4.13

    Polar Surface Area:
    110.13

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  14. ALA4755705

    Name:
    1-(2-Chlorophenyl)-3-(2-(7-oxo-5-(propylthio)-6,7-
    Show More

    Mol. Formula:
    C16H18ClN7OS2

    M.W.:
    423.95

    Type:
    Unknown

    AlogP:
    2.66

    Polar Surface Area:
    100.52

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  15. ALA4780853

    Name:
    (4aR,6R,6aR,9S,11S,11bS,12R,14R)-11b-(acetoxymethy
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    Mol. Formula:
    C26H37BrO7

    M.W.:
    541.48

    Type:
    Unknown

    AlogP:
    3.34

    Polar Surface Area:
    110.13

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  16. ALA4779634

    Name:
    (4aR,6R,6aR,9S,11S,11bS,12R,14R)-11b-(acetoxymethy
    Show More

    Mol. Formula:
    C30H37ClO8

    M.W.:
    561.07

    Type:
    Unknown

    AlogP:
    4.14

    Polar Surface Area:
    119.36

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  17. ALA4777178

    Name:
    (4aR,6R,6aR,9S,11S,11bS,12R,14R)-11b-(acetoxymethy
    Show More

    Mol. Formula:
    C29H35BrO7

    M.W.:
    575.50

    Type:
    Unknown

    AlogP:
    4.24

    Polar Surface Area:
    110.13

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  18. ALA4588761

    Name:
    5,15-Di((3-carboxypropoxyl)phenyl)porphin

    Mol. Formula:
    C40H34N4O6

    M.W.:
    666.73

    Type:
    Unknown

    AlogP:
    8.48

    Polar Surface Area:
    150.42

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  19. ALA4587603

    Name:
    diethyl (6-ethyl-2-methyl-4-oxothieno[2,3-d]pyrimi
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    Mol. Formula:
    C20H26N3O4PS

    M.W.:
    435.49

    Type:
    Unknown

    AlogP:
    4.84

    Polar Surface Area:
    82.45

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  20. ALA4585563

    Name:
    (E)-2-(4-(3-(3,4,5-trimethoxyphenyl)acryloyl)pheno
    Show More

    Mol. Formula:
    C25H29NO5S2

    M.W.:
    487.64

    Type:
    Unknown

    AlogP:
    5.10

    Polar Surface Area:
    57.23

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
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