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  1. ALA4576804

    Name:
    Lipoxin A4

    Cas Number:
    98049-69-5

    Mol. Formula:
    C20H32O5

    M.W.:
    352.47

    Type:
    Unknown

    AlogP:
    3.13

    Polar Surface Area:
    97.99

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  2. ALA4098324

    Name:
    N-(Amino(4-bromophenyl)methylene)-3-(4-chloropheny
    Show More

    Mol. Formula:
    C29H22BrCl2N5O2S

    M.W.:
    655.41

    Type:
    Small molecule

    AlogP:
    6.71

    Polar Surface Area:
    100.48

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  3. ALA4097908

    Name:
    N-(1-Amino-2-(benzylthio)ethylidene)-3-(4-chloroph
    Show More

    Mol. Formula:
    C30H25Cl2N5O2S2

    M.W.:
    622.60

    Type:
    Small molecule

    AlogP:
    6.79

    Polar Surface Area:
    100.48

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  4. ALA4097409

    Name:
    N-(Amino(4-chlorophenyl)methylene)-3-(4-chlorophen
    Show More

    Mol. Formula:
    C29H22Cl3N5O2S

    M.W.:
    610.95

    Type:
    Small molecule

    AlogP:
    6.60

    Polar Surface Area:
    100.48

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  5. ALA4095928

    Name:
    N-(1-Aminoethylidene)-3-(4-chlorophenyl)-N'-((4-is
    Show More

    Mol. Formula:
    C27H28ClN5O2S

    M.W.:
    522.07

    Type:
    Small molecule

    AlogP:
    5.39

    Polar Surface Area:
    100.48

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  6. ALA4095806

    Name:
    Methyl N'-((3-(4-Chlorophenyl)-4-phenyl-4,5-dihydr
    Show More

    Mol. Formula:
    C28H24ClN5O2S2

    M.W.:
    562.12

    Type:
    Small molecule

    AlogP:
    5.72

    Polar Surface Area:
    100.48

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  7. ALA4104443

    Name:
    N-(1-Aminoethylidene)-3-(4-chlorophenyl)-N'-((4-io
    Show More

    Mol. Formula:
    C24H21ClIN5O2S

    M.W.:
    605.89

    Type:
    Small molecule

    AlogP:
    4.87

    Polar Surface Area:
    100.48

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  8. ALA4103682

    Name:
    N-(1-Amino-2,2-dimethylpropylidene)-3-(4-chlorophe
    Show More

    Mol. Formula:
    C27H27Cl2N5O2S

    M.W.:
    556.52

    Type:
    Small molecule

    AlogP:
    5.95

    Polar Surface Area:
    100.48

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  9. ALA4103562

    Name:
    Methyl N'-(3-(4-Chlorophenyl)-4-phenyl-4,5-dihydro
    Show More

    Mol. Formula:
    C25H21ClF3N5O2S2

    M.W.:
    580.06

    Type:
    Small molecule

    AlogP:
    5.58

    Polar Surface Area:
    100.48

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  10. ALA4100767

    Name:
    N-(Amino(3-methoxyphenyl)methylene)-3-(4-chlorophe
    Show More

    Mol. Formula:
    C30H25Cl2N5O3S

    M.W.:
    606.54

    Type:
    Small molecule

    AlogP:
    5.96

    Polar Surface Area:
    109.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  11. ALA4093905

    Name:
    (4S)-(-)-N-(1-Aminoethylidene)-3-(4-chlorophenyl)-
    Show More

    Mol. Formula:
    C24H21Cl2N5O2S

    M.W.:
    514.44

    Type:
    Small molecule

    AlogP:
    4.92

    Polar Surface Area:
    100.48

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  12. ALA4092420

    Name:
    N-(1-Aminoethylidene)-N'-((4-bromophenyl)sulfonyl)
    Show More

    Mol. Formula:
    C24H21BrClN5O2S

    M.W.:
    558.89

    Type:
    Small molecule

    AlogP:
    5.03

    Polar Surface Area:
    100.48

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  13. ALA4091555

    Name:
    N-(1-Amino-2-methylpropylidene)-3-(4-chlorophenyl)
    Show More

    Mol. Formula:
    C26H25Cl2N5O2S

    M.W.:
    542.49

    Type:
    Small molecule

    AlogP:
    5.56

    Polar Surface Area:
    100.48

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  14. ALA4091213

    Name:
    N-(1-Aminoethylidene)-3-(4-chlorophenyl)-4-phenyl-
    Show More

    Mol. Formula:
    C24H22ClN5O2S

    M.W.:
    479.99

    Type:
    Small molecule

    AlogP:
    4.27

    Polar Surface Area:
    100.48

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  15. ALA4089263

    Name:
    N-((3-(4-Chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyr
    Show More

    Mol. Formula:
    C28H22Cl2N6O2S

    M.W.:
    577.50

    Type:
    Small molecule

    AlogP:
    5.34

    Polar Surface Area:
    113.37

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  16. ALA4088193

    Name:
    N-(1-Aminoethylidene)-3-(4-chlorophenyl)-N'-((4-me
    Show More

    Mol. Formula:
    C25H24ClN5O3S

    M.W.:
    510.02

    Type:
    Small molecule

    AlogP:
    4.27

    Polar Surface Area:
    109.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  17. ALA4088079

    Name:
    N-(1-Aminoethylidene)-3-(4-chlorophenyl)-4-phenyl-
    Show More

    Mol. Formula:
    C25H21ClF3N5O2S

    M.W.:
    547.99

    Type:
    Small molecule

    AlogP:
    5.28

    Polar Surface Area:
    100.48

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  18. ALA4085754

    Name:
    N-(1-Amino(cyclopropyl)methylene)-3-(4-chloropheny
    Show More

    Mol. Formula:
    C26H23Cl2N5O2S

    M.W.:
    540.48

    Type:
    Small molecule

    AlogP:
    5.31

    Polar Surface Area:
    100.48

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  19. ALA4085630

    Name:
    Methyl N'-((3-(4-Chlorophenyl)-4-phenyl-4,5-dihydr
    Show More

    Mol. Formula:
    C24H21Cl2N5O2S2

    M.W.:
    546.51

    Type:
    Small molecule

    AlogP:
    5.22

    Polar Surface Area:
    100.48

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  20. ALA4090197

    Name:
    N-((1-Amino-2-((3-phenylpropyl)thio)ethylidene)-3-
    Show More

    Mol. Formula:
    C32H29Cl2N5O2S2

    M.W.:
    650.66

    Type:
    Small molecule

    AlogP:
    7.22

    Polar Surface Area:
    100.48

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
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