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  1. ALA1602312

    Name:
    SID4244002

    Mol. Formula:
    C22H31N3O3S

    M.W.:
    417.58

    Type:
    Small molecule

    AlogP:
    3.26

    Polar Surface Area:
    54.04

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  2. ALA1600128

    Name:
    SID4244830

    Mol. Formula:
    C18H24ClN3O2S2

    M.W.:
    414.00

    Type:
    Small molecule

    AlogP:
    3.06

    Polar Surface Area:
    52.65

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  3. ALA4548389

    Name:
    (R)-6-Chloro-3-(3,7-dimethyloctanoyl)-N-propyl-1H-
    Show More

    Mol. Formula:
    C22H31ClN2O2

    M.W.:
    390.96

    Type:
    Unknown

    AlogP:
    6.00

    Polar Surface Area:
    61.96

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  4. ALA4547876

    Name:
    Ethyl (E)-6-Chloro-3-(3-((3-methoxybenzyl)amino)-3
    Show More

    Mol. Formula:
    C22H21ClN2O4

    M.W.:
    412.87

    Type:
    Unknown

    AlogP:
    4.34

    Polar Surface Area:
    80.42

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  5. ALA4546737

    Name:
    Ethyl (E)-6-chloro-3-((2-(2-(3,4-dimethoxyphenyl)a
    Show More

    Mol. Formula:
    C22H22ClN3O5

    M.W.:
    443.89

    Type:
    Unknown

    AlogP:
    3.71

    Polar Surface Area:
    102.01

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  6. ALA4525035

    Name:
    (E)-ethyl 6-chloro-3-((2-(4,5,6,7-tetrahydrobenzo[
    Show More

    Mol. Formula:
    C21H20ClN3O3S

    M.W.:
    429.93

    Type:
    Unknown

    AlogP:
    4.70

    Polar Surface Area:
    83.55

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  7. ALA5077863

    Name:
    isobutyl N-(5-(5,6-difluoro-1H-indol-2-yl)-2-metho
    Show More

    Mol. Formula:
    C20H21F2N3O5S

    M.W.:
    453.47

    Type:
    Unknown

    AlogP:
    4.16

    Polar Surface Area:
    109.52

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  8. ALA4560037

    Name:
    Ethyl (E)-6-chloro-3-((2-(2-phenylacetyl)hydrazine
    Show More

    Mol. Formula:
    C20H18ClN3O3

    M.W.:
    383.84

    Type:
    Unknown

    AlogP:
    3.69

    Polar Surface Area:
    83.55

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  9. ALA4558587

    Name:
    6-Chloro-N-propyl-1H-indole-2-carboxamide

    Mol. Formula:
    C12H13ClN2O

    M.W.:
    236.70

    Type:
    Unknown

    AlogP:
    2.96

    Polar Surface Area:
    44.89

    HBA:
    1

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.85

    DETAILS
  10. ALA4558426

    Name:
    Ethyl (E)-6-chloro-3-((2-(2-(thiophen-2-yl)acetyl)
    Show More

    Mol. Formula:
    C18H16ClN3O3S

    M.W.:
    389.86

    Type:
    Unknown

    AlogP:
    3.75

    Polar Surface Area:
    83.55

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  11. ALA4558072

    Name:
    Ethyl (E)-6-Chloro-3-(3-((2-chlorophenethyl)amino)
    Show More

    Mol. Formula:
    C22H20Cl2N2O3

    M.W.:
    431.32

    Type:
    Unknown

    AlogP:
    5.02

    Polar Surface Area:
    71.19

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  12. ALA4557621

    Name:
    Ethyl (E)-6-chloro-3-((2-(2-(3-hydroxyphenyl)acety
    Show More

    Mol. Formula:
    C20H18ClN3O4

    M.W.:
    399.83

    Type:
    Unknown

    AlogP:
    3.40

    Polar Surface Area:
    103.78

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  13. ALA4554659

    Name:
    (E)-ethyl 6-chloro-3-((2-isobutyrylhydrazono)methy
    Show More

    Mol. Formula:
    C16H18ClN3O3

    M.W.:
    335.79

    Type:
    Unknown

    AlogP:
    3.10

    Polar Surface Area:
    83.55

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  14. ALA4554463

    Name:
    N-Butyl-6-chloro-1H-indole-2-carboxamide

    Mol. Formula:
    C13H15ClN2O

    M.W.:
    250.73

    Type:
    Unknown

    AlogP:
    3.35

    Polar Surface Area:
    44.89

    HBA:
    1

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  15. ALA4551746

    Name:
    (E)-ethyl 6-chloro-3-((2-(3-ethoxypropanoyl)hydraz
    Show More

    Mol. Formula:
    C17H20ClN3O4

    M.W.:
    365.82

    Type:
    Unknown

    AlogP:
    2.87

    Polar Surface Area:
    92.78

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  16. ALA4535315

    Name:
    Ethyl (E)-3-((2-((tert-butoxycarbonyl)-L-phenylala
    Show More

    Mol. Formula:
    C26H29ClN4O5

    M.W.:
    512.99

    Type:
    Unknown

    AlogP:
    4.58

    Polar Surface Area:
    121.88

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  17. ALA4474467

    Name:
    (E)-ethyl 6-chloro-3-((2-(3-(dimethylamino)propano
    Show More

    Mol. Formula:
    C17H21ClN4O3

    M.W.:
    364.83

    Type:
    Unknown

    AlogP:
    2.40

    Polar Surface Area:
    86.79

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  18. ALA4474382

    Name:
    Ethyl (E)-6-chloro-3-((2-(2-(pyridin-3-yl)acetyl)h
    Show More

    Mol. Formula:
    C19H17ClN4O3

    M.W.:
    384.82

    Type:
    Unknown

    AlogP:
    3.09

    Polar Surface Area:
    96.44

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  19. ALA4474190

    Name:
    6-Chloro-3-[(1,1-dioxo-tetrahydro-1lambda(6)-thiop
    Show More

    Mol. Formula:
    C17H18ClN3O5S

    M.W.:
    411.87

    Type:
    Unknown

    AlogP:
    1.88

    Polar Surface Area:
    117.69

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  20. ALA4545060

    Name:
    (E)-ethyl 6-chloro-3-((2-(3,3-dimethylbutanoyl)hyd
    Show More

    Mol. Formula:
    C18H22ClN3O3

    M.W.:
    363.85

    Type:
    Unknown

    AlogP:
    3.88

    Polar Surface Area:
    83.55

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
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