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Compounds

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  1. ALA1796133

    Name:
    10-(2,4-Dimethyl-benzyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda*6*-dibenzo[Show More⌵

    Mol. Formula:
    C30H33N3O5S

    M.W.:
    547.68

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    3.75

    Polar Surface Area:
    96.02

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  2. ALA1796132

    Name:
    10-(2,4-Dimethyl-benzyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda*6*-dibenzo[Show More⌵

    Mol. Formula:
    C30H33N3O4S

    M.W.:
    531.68

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    4.51

    Polar Surface Area:
    86.79

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  3. ALA1796131

    Name:
    rac-10-(2,4-Dimethyl-benzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda*4*-dibenzoShow More⌵

    Mol. Formula:
    C30H35N3O3S

    M.W.:
    517.70

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    5.09

    Polar Surface Area:
    75.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  4. ALA1796130

    Name:
    rac-10-(2,4-Dimethyl-benzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda*4*-dibenzoShow More⌵

    Mol. Formula:
    C33H39N3O3S

    M.W.:
    557.76

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    6.01

    Polar Surface Area:
    75.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  5. ALA1796129

    Name:
    rac-10-(2-Fluoro-benzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda*4*-dibenzo[b,fShow More⌵

    Mol. Formula:
    C31H34FN3O3S

    M.W.:
    547.70

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    5.25

    Polar Surface Area:
    75.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  6. ALA1796128

    Name:
    rac-10-(4-Fluoro-benzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda*4*-dibenzo[b,fShow More⌵

    Mol. Formula:
    C31H34FN3O3S

    M.W.:
    547.70

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    5.54

    Polar Surface Area:
    75.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  7. ALA1796127

    Name:
    rac-10-(4-Fluoro-benzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda*4*-dibenzo[b,fShow More⌵

    Mol. Formula:
    C30H34FN3O3S

    M.W.:
    535.69

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    5.39

    Polar Surface Area:
    75.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  8. ALA1796126

    Name:
    10-(4-Chloro-benzyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda*6*-dibenzo[b,f]Show More⌵

    Mol. Formula:
    C28H28ClN3O4S

    M.W.:
    538.07

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    4.55

    Polar Surface Area:
    86.79

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  9. ALA1796125

    Name:
    10-(4-Chloro-benzyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda*6*-dibenzo[b,f]Show More⌵

    Mol. Formula:
    C31H34ClN3O4S

    M.W.:
    580.15

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    5.72

    Polar Surface Area:
    86.79

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  10. ALA1796124

    Name:
    rac-10-(4-Chloro-benzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda*4*-dibenzo[b,fShow More⌵

    Mol. Formula:
    C26H26ClN3O3S

    M.W.:
    496.03

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    4.35

    Polar Surface Area:
    75.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  11. ALA1796123

    Name:
    rac-10-Ethyl-5,11-dioxo-10,11-dihydro-5H-5lambda*4*-dibenzo[b,f][1,4]thiazeShow More⌵

    Mol. Formula:
    C23H27N3O4S

    M.W.:
    441.55

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    2.29

    Polar Surface Area:
    84.94

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  12. ALA1796122

    Name:
    rac-10-Ethyl-5,11-dioxo-10,11-dihydro-5H-5lambda*4*-dibenzo[b,f][1,4]thiazeShow More⌵

    Mol. Formula:
    C25H31N3O3S

    M.W.:
    453.61

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    3.83

    Polar Surface Area:
    75.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  13. ALA1796121

    Name:
    rac-10-Benzyl-5,11-dioxo-10,11-dihydro-5H-5lambda*4*-dibenzo[b,f][1,4]thiazShow More⌵

    Mol. Formula:
    C30H32N2O3S2

    M.W.:
    532.73

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    6.20

    Polar Surface Area:
    72.47

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  14. ALA1796120

    Name:
    10-Benzyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda*6*-dibenzo[b,f][1,4]thiazeShow More⌵

    Mol. Formula:
    C30H33N3O4S

    M.W.:
    531.68

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    4.53

    Polar Surface Area:
    86.79

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  15. ALA1796119

    Name:
    10-Benzyl-5,5,11-trioxo-10,11-dihydro-5H-5lambda*6*-dibenzo[b,f][1,4]thiazeShow More⌵

    Mol. Formula:
    C31H35N3O4S

    M.W.:
    545.71

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    5.06

    Polar Surface Area:
    86.79

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  16. ALA1796118

    Name:
    rac-10-Benzyl-5,11-dioxo-10,11-dihydro-5H-5lambda*4*-dibenzo[b,f][1,4]thiazShow More⌵

    Mol. Formula:
    C31H35N3O3S

    M.W.:
    529.71

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    5.40

    Polar Surface Area:
    75.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  17. ALA1796117

    Name:
    10-(3-Chloro-benzyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda*6*-dibenzo[b,f]Show More⌵

    Mol. Formula:
    C26H24ClN3O4S

    M.W.:
    510.02

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    3.82

    Polar Surface Area:
    95.58

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  18. ALA1796116

    Name:
    10-(3-Chloro-benzyl)-5,5,11-trioxo-10,11-dihydro-5H-5lambda*6*-dibenzo[b,f]Show More⌵

    Mol. Formula:
    C30H25ClN2O4S

    M.W.:
    545.06

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    5.65

    Polar Surface Area:
    74.76

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  19. ALA1796115

    Name:
    10-(3-chlorobenzyl)-11-oxo-N-(3-(piperidin-1-yl)propyl)-10,11-dihydrodibenzShow More⌵

    Mol. Formula:
    C29H30ClN3O2S

    M.W.:
    520.10

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    6.26

    Polar Surface Area:
    52.65

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  20. ALA1796114

    Name:
    rac-10-(3-Chloro-benzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda*4*-dibenzo[b,fShow More⌵

    Mol. Formula:
    C30H34ClN3O3S

    M.W.:
    552.14

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    5.91

    Polar Surface Area:
    75.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
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