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  1. ALA4879356

    Name:
    3-Methyl-N-(2-((2-oxo-2-(((S)-1-phenylethyl)amino)
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    Mol. Formula:
    C30H33N3O3S2

    M.W.:
    547.75

    Type:
    Unknown

    AlogP:
    7.39

    Polar Surface Area:
    80.32

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  2. ALA4878780

    Name:
    3-methyl-N-(2-(2-oxo-2-((S)-1-phenylethylamino)eth
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    Mol. Formula:
    C30H33N3O3S2

    M.W.:
    547.75

    Type:
    Unknown

    AlogP:
    7.39

    Polar Surface Area:
    80.32

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  3. ALA4878746

    Name:
    2,3-Difluoro-N-(2-((2-oxo-2-(((S)-1-phenylethyl)am
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    Mol. Formula:
    C29H29F2N3O3S2

    M.W.:
    569.70

    Type:
    Unknown

    AlogP:
    7.36

    Polar Surface Area:
    80.32

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  4. ALA4878402

    Name:
    (S)-2-methoxy-N-(2-((2-((1-(4-methoxyphenyl)ethyl)
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    Mol. Formula:
    C33H38N4O6S2

    M.W.:
    650.82

    Type:
    Unknown

    AlogP:
    5.55

    Polar Surface Area:
    111.25

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  5. ALA4877798

    Name:
    3-Chloro-N-(2-((2-oxo-2-(((S)-1-phenylethyl)amino)
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    Mol. Formula:
    C29H30ClN3O3S2

    M.W.:
    568.16

    Type:
    Unknown

    AlogP:
    7.74

    Polar Surface Area:
    80.32

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  6. ALA4876597

    Name:
    2-Methoxy-N-(2-((2-(((S)-1-(3-methoxyphenyl)ethyl)
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    Mol. Formula:
    C32H37N3O5S2

    M.W.:
    607.80

    Type:
    Unknown

    AlogP:
    7.41

    Polar Surface Area:
    98.78

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  7. ALA4876198

    Name:
    3-Ethyl-N-(2-((2-oxo-2-(((S)-1-phenylethyl)amino)e
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    Mol. Formula:
    C31H35N3O3S2

    M.W.:
    561.77

    Type:
    Unknown

    AlogP:
    7.65

    Polar Surface Area:
    80.32

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  8. ALA4873424

    Name:
    2,3-Dimethyl-N-(2-((2-oxo-2-(((S)-1-phenylethyl)am
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    Mol. Formula:
    C31H35N3O3S2

    M.W.:
    561.77

    Type:
    Unknown

    AlogP:
    7.70

    Polar Surface Area:
    80.32

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  9. ALA4872578

    Name:
    3-Bromo-N-(2-((2-oxo-2-(((S)-1-phenylethyl)amino)e
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    Mol. Formula:
    C29H30BrN3O3S2

    M.W.:
    612.62

    Type:
    Unknown

    AlogP:
    7.85

    Polar Surface Area:
    80.32

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  10. ALA4870080

    Name:
    (S)-2,4-dimethoxy-N-(2-(2-(1-(4-methoxyphenyl)ethy
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    Mol. Formula:
    C28H29N3O6S

    M.W.:
    535.62

    Type:
    Unknown

    AlogP:
    5.14

    Polar Surface Area:
    108.01

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  11. ALA4870012

    Name:
    N-(2-((2-(((S)-1-(2-hydroxyphenyl)ethyl)amino)-2-o
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    Mol. Formula:
    C31H35N3O5S2

    M.W.:
    593.77

    Type:
    Unknown

    AlogP:
    7.11

    Polar Surface Area:
    109.78

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  12. ALA4869871

    Name:
    3-methyl-N-(2-(2-oxo-2-((S)-1-phenylethylamino)eth
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    Mol. Formula:
    C30H33N3O3S2

    M.W.:
    547.75

    Type:
    Unknown

    AlogP:
    7.39

    Polar Surface Area:
    80.32

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  13. ALA4869347

    Name:
    3-Cyano-N-(2-((2-oxo-2-(((S)-1-phenylethyl)amino)e
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    Mol. Formula:
    C30H30N4O3S2

    M.W.:
    558.73

    Type:
    Unknown

    AlogP:
    6.96

    Polar Surface Area:
    104.11

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  14. ALA4868479

    Name:
    5-(2-((R)-2-((S)-1-((S)-1-((S)-2-((S)-5-amino-1-((
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    Mol. Formula:
    C57H65N9O16

    M.W.:
    1132.19

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA5284089

    Name:
    4-((2-(piperazin-1-yl)phenyl)amino)-2a1,5a-dihydro
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    Mol. Formula:
    C20H20N4O3S

    M.W.:
    396.47

    Type:
    ---

    AlogP:
    1.45

    Polar Surface Area:
    90.87

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  16. ALA5282950

    Name:
    2-((4-methyl-6-morpholinoquinazolin-2-yl)amino)qui
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    Mol. Formula:
    C21H20N6O2

    M.W.:
    388.43

    Type:
    ---

    AlogP:
    2.75

    Polar Surface Area:
    96.03

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  17. ALA5280162

    Name:
    (S)-2-((S)-2-((S)-2-aminopropanamido)-3-(4-(phosph
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    Mol. Formula:
    C18H28N3O8P

    M.W.:
    445.41

    Type:
    ---

    AlogP:
    0.15

    Polar Surface Area:
    188.28

    HBA:
    6

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  18. ALA5280147

    Name:
    2,3,4,5,6-pentafluoro-N-(4-hydroxy-3-(phenylthio)n
    Show More

    Mol. Formula:
    C22H12F5NO3S2

    M.W.:
    497.47

    Type:
    ---

    AlogP:
    6.19

    Polar Surface Area:
    66.40

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  19. ALA5279594

    Name:
    4-(N-([1,1'-biphenyl]-4-ylmethyl)-2-(N,4-dimethylp
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    Mol. Formula:
    C30H28N2O6S

    M.W.:
    544.63

    Type:
    ---

    AlogP:
    4.92

    Polar Surface Area:
    115.22

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  20. ALA5279368

    Name:
    (3R,5S,E)-7-(3,4-dimethoxyphenyl)-1-(3,4,5-trimeth
    Show More

    Mol. Formula:
    C24H32O7

    M.W.:
    432.51

    Type:
    ---

    AlogP:
    3.49

    Polar Surface Area:
    86.61

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
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