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Items 1-20 of 1,167

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  1. ALA4482879

    Name:
    diethyl '-4,4'-(3-hydroxy-5-oxohepta-1,3,6-triene-
    Show More

    Mol. Formula:
    C33H36O12

    M.W.:
    624.64

    Type:
    Unknown

    AlogP:
    4.94

    Polar Surface Area:
    160.96

    HBA:
    12

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  2. ALA4522668

    Name:
    2-(1-(4-Methyl-2-(4-(piperidin-1-yl)phenyl)thiazol
    Show More

    Mol. Formula:
    C18H24N6S

    M.W.:
    356.50

    Type:
    Unknown

    AlogP:
    3.32

    Polar Surface Area:
    90.39

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  3. ALA4521765

    Name:
    5-hydroxy-1,7-di(1H-pyrrol-2-yl)hepta-1,4,6-trien-
    Show More

    Mol. Formula:
    C15H14N2O2

    M.W.:
    254.29

    Type:
    Unknown

    AlogP:
    3.08

    Polar Surface Area:
    68.88

    HBA:
    2

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  4. ALA4860870

    Name:
    3-((trifluoromethyl)selanyl)propyl 2-((2,3-dimethy
    Show More

    Mol. Formula:
    C21H24F3NO2Se

    M.W.:
    458.38

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA4859495

    Name:
    3-Selenocyanatopropyl 2-((3-(trifluoromethyl)pheny
    Show More

    Mol. Formula:
    C18H15F3N2O2Se

    M.W.:
    427.28

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA4857144

    Name:
    3-((trifluoromethyl)selanyl)propyl 2-(6-methoxynap
    Show More

    Mol. Formula:
    C18H19F3O3Se

    M.W.:
    419.30

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA4878317

    Name:
    3-((trifluoromethyl)selanyl)propyl 2-(4-isobutylph
    Show More

    Mol. Formula:
    C17H23F3O2Se

    M.W.:
    395.32

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA4878200

    Name:
    3-((trifluoromethyl)selanyl)propyl 2-(2-fluoro-[1,
    Show More

    Mol. Formula:
    C19H18F4O2Se

    M.W.:
    433.30

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA4877221

    Name:
    3-Selenocyanatopropyl (Z)-2-(5-fluoro-2-methyl-1-(
    Show More

    Mol. Formula:
    C24H22FNO3SSe

    M.W.:
    502.47

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA4876984

    Name:
    3-Selenocyanatopropyl 2-(1-(4-chlorobenzoyl)-5-met
    Show More

    Mol. Formula:
    C23H21ClN2O4Se

    M.W.:
    503.84

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA4876486

    Name:
    3-Selenocyanatopropyl 2-((2,3-dimethylphenyl)amino
    Show More

    Mol. Formula:
    C21H24N2O2Se

    M.W.:
    415.40

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA4875617

    Name:
    3-Selenocyanatopropyl 2-(1,8-diethyl-1,3,4,9-tetra
    Show More

    Mol. Formula:
    C21H26N2O3Se

    M.W.:
    433.41

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA4874223

    Name:
    3-((trifluoromethyl)selanyl)propyl (Z)-2-(5-fluoro
    Show More

    Mol. Formula:
    C24H22F4O3SSe

    M.W.:
    545.46

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA5279066

    Name:
    3-(2-((5-(pyridin-4-yl)-4-(o-tolyl)-4H-1,2,4-triaz
    Show More

    Mol. Formula:
    C24H21N5S

    M.W.:
    411.53

    Type:
    ---

    AlogP:
    5.45

    Polar Surface Area:
    59.39

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  15. ALA5278825

    Name:
    3-(2-((4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-
    Show More

    Mol. Formula:
    C23H19N5S

    M.W.:
    397.51

    Type:
    ---

    AlogP:
    5.15

    Polar Surface Area:
    59.39

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  16. ALA4866714

    Name:
    3-Selenocyanatopropyl 2-acetoxybenzoate

    Mol. Formula:
    C13H13NO4Se

    M.W.:
    326.21

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  17. ALA4865210

    Name:
    3-Selenocyanatopropyl 2-(6-methoxynaphthalen-2-yl)
    Show More

    Mol. Formula:
    C18H19NO3Se

    M.W.:
    376.31

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  18. ALA4863739

    Name:
    3-((trifluoromethyl)selanyl)propyl 2-(1,8-diethyl-
    Show More

    Mol. Formula:
    C22H28F3NO3Se

    M.W.:
    490.42

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  19. ALA4862585

    Name:
    3-((trifluoromethyl)selanyl)propyl 2-acetoxybenzoa
    Show More

    Mol. Formula:
    C13H13F3O4Se

    M.W.:
    369.20

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  20. ALA4854373

    Name:
    3-((trifluoromethyl)selanyl)propyl 2-((3-(trifluor
    Show More

    Mol. Formula:
    C18H15F6NO2Se

    M.W.:
    470.27

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
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