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  1. ALA4782298

    Name:
    2-{[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl](m
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    Mol. Formula:
    C23H32N2O3S2

    M.W.:
    448.65

    Type:
    Unknown

    AlogP:
    3.79

    Polar Surface Area:
    53.01

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  2. ALA4550803

    Name:
    rac-(3R,5S)-5-(2-((2',4'-bis(trifluoromethyl)biphe
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    Mol. Formula:
    C21H19F6N3O2

    M.W.:
    459.39

    Type:
    Unknown

    AlogP:
    4.38

    Polar Surface Area:
    73.72

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  3. ALA4777433

    Name:
    2-((4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl)(m
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    Mol. Formula:
    C26H32N2O2S2

    M.W.:
    468.69

    Type:
    Unknown

    AlogP:
    5.17

    Polar Surface Area:
    52.57

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  4. ALA4796172

    Name:
    4-Amino-2-((4,4-bis(3-methylthiophen-2-yl)but-3-en
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    Mol. Formula:
    C27H35N3OS2

    M.W.:
    481.73

    Type:
    Unknown

    AlogP:
    5.52

    Polar Surface Area:
    58.36

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  5. ALA4796143

    Name:
    2-((4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl)(m
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    Mol. Formula:
    C25H29ClN2O2S2

    M.W.:
    489.11

    Type:
    Unknown

    AlogP:
    5.51

    Polar Surface Area:
    52.57

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  6. ALA4795098

    Name:
    N-benzyl-2-{[4,4-bis(3-methylthiophen-2-yl)but-3-e
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    Mol. Formula:
    C26H32N2O2S2

    M.W.:
    468.69

    Type:
    Unknown

    AlogP:
    5.25

    Polar Surface Area:
    52.57

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  7. ALA4794776

    Name:
    2-{[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl](m
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    Mol. Formula:
    C26H31ClN2O2S2

    M.W.:
    503.13

    Type:
    Unknown

    AlogP:
    5.90

    Polar Surface Area:
    52.57

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  8. ALA4793917

    Name:
    N-benzyl-2-((4,4-bis(3-methylthiophen-2-yl)but-3-e
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    Mol. Formula:
    C27H34N2O2S2

    M.W.:
    482.72

    Type:
    Unknown

    AlogP:
    5.64

    Polar Surface Area:
    52.57

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  9. ALA4793317

    Name:
    2-{[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl](m
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    Mol. Formula:
    C26H30F2N2O2S2

    M.W.:
    504.67

    Type:
    Unknown

    AlogP:
    5.53

    Polar Surface Area:
    52.57

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  10. ALA4792403

    Name:
    4-Amino-N-benzyl-2-((4,4-bis(3-methylthiophen-2-yl
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    Mol. Formula:
    C26H33N3OS2

    M.W.:
    467.70

    Type:
    Unknown

    AlogP:
    5.21

    Polar Surface Area:
    58.36

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  11. ALA4791625

    Name:
    2-{[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl](m
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    Mol. Formula:
    C26H31FN2O2S2

    M.W.:
    486.68

    Type:
    Unknown

    AlogP:
    5.39

    Polar Surface Area:
    52.57

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  12. ALA4791461

    Name:
    2-((4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl)(m
    Show More

    Mol. Formula:
    C26H29F3N2O2S2

    M.W.:
    522.66

    Type:
    Unknown

    AlogP:
    5.88

    Polar Surface Area:
    52.57

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  13. ALA4559660

    Name:
    rac-(3R,5R)-5-(2-((5-(4-chloro-2-fluorophenyl)fura
    Show More

    Mol. Formula:
    C17H17ClFN3O3

    M.W.:
    365.79

    Type:
    Unknown

    AlogP:
    2.73

    Polar Surface Area:
    86.86

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  14. ALA4558115

    Name:
    rac-(3R,5S)-5-(2-((2'-chloro-4'-fluorobiphenyl-2-y
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    Mol. Formula:
    C19H19ClFN3O2

    M.W.:
    375.83

    Type:
    Unknown

    AlogP:
    3.13

    Polar Surface Area:
    73.72

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  15. ALA4798908

    Name:
    4-Amino-2-((4,4-bis(3-methylthiophen-2-yl)but-3-en
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    Mol. Formula:
    C26H32FN3OS2

    M.W.:
    485.69

    Type:
    Unknown

    AlogP:
    5.35

    Polar Surface Area:
    58.36

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  16. ALA4798809

    Name:
    Isoserine

    Cas Number:
    565-71-9

    Mol. Formula:
    C3H7NO3

    M.W.:
    105.09

    Type:
    Unknown

    AlogP:
    -1.61

    Polar Surface Area:
    83.55

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  17. ALA4785506

    Name:
    4-Amino-2-((4,4-bis(3-methylthiophen-2-yl)but-3-en
    Show More

    Mol. Formula:
    C26H32ClN3OS2

    M.W.:
    502.15

    Type:
    Unknown

    AlogP:
    5.87

    Polar Surface Area:
    58.36

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  18. ALA4784962

    Name:
    2-{[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl](m
    Show More

    Mol. Formula:
    C26H31ClN2O2S2

    M.W.:
    503.13

    Type:
    Unknown

    AlogP:
    5.90

    Polar Surface Area:
    52.57

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  19. ALA4781266

    Name:
    4-Acetamido-2-((4,4-bis(3-methylthiophen-2-yl)but-
    Show More

    Mol. Formula:
    C28H34ClN3O2S2

    M.W.:
    544.19

    Type:
    Unknown

    AlogP:
    6.04

    Polar Surface Area:
    61.44

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  20. ALA4780692

    Name:
    4-Amino-2-((4,4-bis(3-methylthiophen-2-yl)but-3-en
    Show More

    Mol. Formula:
    C26H32ClN3OS2

    M.W.:
    502.15

    Type:
    Unknown

    AlogP:
    5.87

    Polar Surface Area:
    58.36

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
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