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  1. ALA4859712

    Name:
    (R)-Hexa-2,4-dienoic acid (10R,10aR)-8-oxo-9-(3,4,
    Show More

    Mol. Formula:
    C28H28O9

    M.W.:
    508.52

    Type:
    Unknown

    AlogP:
    4.09

    Polar Surface Area:
    98.75

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  2. ALA4858684

    Name:
    (R)-Dodecanoic acid (5R,8aR,9R)-8-oxo-9-(3,4,5-tri
    Show More

    Mol. Formula:
    C34H44O9

    M.W.:
    596.72

    Type:
    Unknown

    AlogP:
    6.88

    Polar Surface Area:
    98.75

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  3. ALA4857960

    Name:
    3-Chloro-thiophene-2-carboxylic acid (5R,5aR,8aR,9
    Show More

    Mol. Formula:
    C27H23ClO9S

    M.W.:
    558.99

    Type:
    Unknown

    AlogP:
    4.99

    Polar Surface Area:
    98.75

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  4. ALA4874885

    Name:
    (S)-2-tert-Butoxycarbonylamino-4-((R)-methylsulfan
    Show More

    Mol. Formula:
    C32H39NO11S

    M.W.:
    645.73

    Type:
    Unknown

    AlogP:
    4.61

    Polar Surface Area:
    137.08

    HBA:
    12

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  5. ALA4849412

    Name:
    Hexadecanoic acid (5aR,8aR,9R)-9-[3-((R)-methoxy)-
    Show More

    Mol. Formula:
    C38H52O9

    M.W.:
    652.82

    Type:
    Unknown

    AlogP:
    8.44

    Polar Surface Area:
    98.75

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  6. ALA4863643

    Name:
    Octadecanoic acid (3R,3aR,8aR)-8-oxo-9-(3,4,5-trim
    Show More

    Mol. Formula:
    C40H56O9

    M.W.:
    680.88

    Type:
    Unknown

    AlogP:
    9.22

    Polar Surface Area:
    98.75

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  7. ALA4854505

    Name:
    2-tert-Butoxycarbonylamino-3-(1H-indol-3-yl)-propi
    Show More

    Mol. Formula:
    C38H40N2O11

    M.W.:
    700.74

    Type:
    Unknown

    AlogP:
    5.58

    Polar Surface Area:
    152.87

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  8. ALA4852756

    Name:
    But-2-enoic acid (3aR,5R,7R)-8-oxo-9-((R)-3,4,5-tr
    Show More

    Mol. Formula:
    C26H26O9

    M.W.:
    482.49

    Type:
    Unknown

    AlogP:
    3.54

    Polar Surface Area:
    98.75

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  9. ALA4870295

    Name:
    (S)-2-tert-Butoxycarbonylamino-3-methyl-butyric ac
    Show More

    Mol. Formula:
    C32H39NO11

    M.W.:
    613.66

    Type:
    Unknown

    AlogP:
    4.51

    Polar Surface Area:
    137.08

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  10. ALA5289692

    Name:
    4-(5-phenyl-3-(selenocyanatomethyl)-1H-pyrazol-1-y
    Show More

    Mol. Formula:
    C17H14N4O2SSe

    M.W.:
    417.35

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA4852095

    Name:
    5-Bromo-thiophene-2-carboxylic acid (5R,5aR,8aR,9R
    Show More

    Mol. Formula:
    C27H23BrO9S

    M.W.:
    603.44

    Type:
    Unknown

    AlogP:
    5.10

    Polar Surface Area:
    98.75

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  12. ALA4852086

    Name:
    Tetradecanoic acid (6R,8aR)-8-oxo-9-((R)-3,4,5-tri
    Show More

    Mol. Formula:
    C36H48O9

    M.W.:
    624.77

    Type:
    Unknown

    AlogP:
    7.66

    Polar Surface Area:
    98.75

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  13. ALA4638908

    Name:
    Pyrroloformamide A

    Cas Number:
    21787-65-5

    Mol. Formula:
    C7H6N2O2S2

    M.W.:
    214.27

    Type:
    Unknown

    AlogP:
    1.20

    Polar Surface Area:
    53.17

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  14. ALA4594433

    Name:
    ML-246

    Mol. Formula:
    C31H30N4O

    M.W.:
    474.61

    Type:
    Small molecule

    AlogP:
    6.18

    Polar Surface Area:
    66.83

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  15. ALA4867624

    Name:
    Thiophene-2-carboxylic acid (5R,5aR,8aR)-9-[3-((R)
    Show More

    Mol. Formula:
    C27H24O9S

    M.W.:
    524.55

    Type:
    Unknown

    AlogP:
    4.34

    Polar Surface Area:
    98.75

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  16. ALA5209288

    Name:
    4-(4-Imino-7-phenethyl-5,6-diphenyl-4,7-dihydro-3H
    Show More

    Mol. Formula:
    C30H30N4O

    M.W.:
    462.60

    Type:
    ---

    AlogP:
    5.67

    Polar Surface Area:
    66.83

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  17. ALA5209120

    Name:
    3-((7-Benzyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimid
    Show More

    Mol. Formula:
    C28H26N4O

    M.W.:
    434.54

    Type:
    ---

    AlogP:
    5.61

    Polar Surface Area:
    62.97

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  18. ALA5208507

    Name:
    7-Benzyl-3-((trans)-4-methoxycyclohexyl)-5,6-diphe
    Show More

    Mol. Formula:
    C32H32N4O

    M.W.:
    488.64

    Type:
    ---

    AlogP:
    6.83

    Polar Surface Area:
    55.83

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  19. ALA5208351

    Name:
    N-(2-(7-Benzyl-4-imino-5,6-diphenyl-4,7-dihydro-3H
    Show More

    Mol. Formula:
    C32H28N6

    M.W.:
    496.62

    Type:
    ---

    AlogP:
    6.21

    Polar Surface Area:
    71.52

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  20. ALA5207969

    Name:
    7-Benzyl-3-(oxetan-3-ylmethyl)-5,6-diphenyl-3,7-di
    Show More

    Mol. Formula:
    C29H26N4O

    M.W.:
    446.55

    Type:
    ---

    AlogP:
    5.35

    Polar Surface Area:
    55.83

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
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