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Compounds

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  1. ALA4218726

    Name:
    (R)-4-((8-chloro-3-(2-fluorobenzyl)-2,5-dioxo-2,3-dihydro-1H-benzo[e][1,4]dShow More⌵

    Mol. Formula:
    C24H18ClFN2O4

    M.W.:
    452.87

    5  activity values

    5   unique targets

    Type:
    Small molecule

    AlogP:
    4.38

    Polar Surface Area:
    86.71

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  2. ALA4218048

    Name:
    (R)-methyl 4-((8-chloro-2,5-dioxo-3-(pyridin-3-ylmethyl)-2,3-dihydro-1H-benShow More⌵

    Mol. Formula:
    C24H20ClN3O4

    M.W.:
    449.89

    5  activity values

    5   unique targets

    Type:
    Small molecule

    AlogP:
    3.73

    Polar Surface Area:
    88.60

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  3. ALA4217895

    Name:
    (R)-4-((3-benzyl-8-chloro-2,5-dioxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-4(Show More⌵

    Mol. Formula:
    C24H19ClN2O4

    M.W.:
    434.88

    5  activity values

    5   unique targets

    Type:
    Small molecule

    AlogP:
    4.24

    Polar Surface Area:
    86.71

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  4. ALA4216568

    Name:
    (R)-4-((8-methoxy-2,5-dioxo-3-(pyridin-3-ylmethyl)-2,3-dihydro-1H-benzo[e][Show More⌵

    Mol. Formula:
    C24H21N3O5

    M.W.:
    431.45

    5  activity values

    5   unique targets

    Type:
    Small molecule

    AlogP:
    2.99

    Polar Surface Area:
    108.83

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  5. ALA4215727

    Name:
    (R)-4-((8-chloro-2,5-dioxo-3-(thiazol-2-ylmethyl)-2,3-dihydro-1H-benzo[e][1Show More⌵

    Mol. Formula:
    C21H16ClN3O4S

    M.W.:
    441.90

    5  activity values

    5   unique targets

    Type:
    Small molecule

    AlogP:
    3.70

    Polar Surface Area:
    99.60

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  6. ALA4215657

    Name:
    (R)-4-((8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-2,3-dihydro-1H-benzo[e][1Show More⌵

    Mol. Formula:
    C29H24ClN5O4

    M.W.:
    542.00

    9  activity values

    7   unique targets

    Type:
    Small molecule

    AlogP:
    4.60

    Polar Surface Area:
    113.52

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  7. ALA4215130

    Name:
    (R)-4-((8-chloro-2,5-dioxo-3-(pyridin-3-ylmethyl)-2,3-dihydro-1H-benzo[e][1Show More⌵

    Mol. Formula:
    C23H18ClN3O4

    M.W.:
    435.87

    5  activity values

    5   unique targets

    Type:
    Small molecule

    AlogP:
    3.64

    Polar Surface Area:
    99.60

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  8. ALA4215036

    Name:
    (R)-4-((8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-2,3-dihydro-1H-benzo[e][1Show More⌵

    Mol. Formula:
    C29H24ClN5O3

    M.W.:
    526.00

    19  activity values

    8   unique targets

    Type:
    Small molecule

    AlogP:
    4.90

    Polar Surface Area:
    104.29

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  9. ALA4214249

    Name:
    Rac-4-((8-chloro-2,5-dioxo-3-(pyrazin-2-ylmethyl)-2,3-dihydro-1H-benzo[e][1Show More⌵

    Mol. Formula:
    C22H17ClN4O4

    M.W.:
    436.86

    5  activity values

    5   unique targets

    Type:
    Small molecule

    AlogP:
    3.03

    Polar Surface Area:
    112.49

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  10. ALA4214079

    Name:
    (R)-4-((8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-2,3-dihydro-1H-benzo[e][1Show More⌵

    Mol. Formula:
    C28H23ClN6O4

    M.W.:
    542.98

    21  activity values

    8   unique targets

    Type:
    Small molecule

    AlogP:
    3.99

    Polar Surface Area:
    126.41

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  11. ALA4213965

    Name:
    (R)-4-((8-chloro-3-(cyclohexylmethyl)-2,5-dioxo-2,3-dihydro-1H-benzo[e][1,4Show More⌵

    Mol. Formula:
    C24H25ClN2O4

    M.W.:
    440.93

    5  activity values

    5   unique targets

    Type:
    Small molecule

    AlogP:
    4.97

    Polar Surface Area:
    86.71

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  12. ALA4213663

    Name:
    (R)-4-((3-(3,4-dichlorobenzyl)-2,5-dioxo-2,3-dihydro-1H-benzo[e][1,4]diazepShow More⌵

    Mol. Formula:
    C24H18Cl2N2O4

    M.W.:
    469.32

    5  activity values

    5   unique targets

    Type:
    Small molecule

    AlogP:
    4.90

    Polar Surface Area:
    86.71

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  13. ALA4212998

    Name:
    (R)-4-((8-chloro-3-(3-chlorobenzyl)-2,5-dioxo-2,3-dihydro-1H-benzo[e][1,4]dShow More⌵

    Mol. Formula:
    C24H18Cl2N2O4

    M.W.:
    469.32

    5  activity values

    5   unique targets

    Type:
    Small molecule

    AlogP:
    4.90

    Polar Surface Area:
    86.71

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  14. ALA4212511

    Name:
    (R)-4-((7-chloro-2,5-dioxo-3-(pyridin-3-ylmethyl)-2,3-dihydro-1H-benzo[e][1Show More⌵

    Mol. Formula:
    C23H18ClN3O4

    M.W.:
    435.87

    5  activity values

    5   unique targets

    Type:
    Small molecule

    AlogP:
    3.64

    Polar Surface Area:
    99.60

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  15. ALA4212258

    Name:
    (R)-4-((8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-2,3-dihydro-1H-benzo[e][1Show More⌵

    Mol. Formula:
    C28H22ClN5O3

    M.W.:
    511.97

    9  activity values

    7   unique targets

    Type:
    Small molecule

    AlogP:
    4.59

    Polar Surface Area:
    104.29

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  16. ALA4211292

    Name:
    (R)-4-((8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-2,3-dihydro-1H-benzo[e][1Show More⌵

    Mol. Formula:
    C23H18ClN3O4

    M.W.:
    435.87

    10  activity values

    7   unique targets

    Type:
    Small molecule

    AlogP:
    3.64

    Polar Surface Area:
    99.60

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  17. ALA4210773

    Name:
    (S)-4-((8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-2,3-dihydro-1H-benzo[e][1Show More⌵

    Mol. Formula:
    C23H18ClN3O4

    M.W.:
    435.87

    5  activity values

    5   unique targets

    Type:
    Small molecule

    AlogP:
    3.64

    Polar Surface Area:
    99.60

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  18. ALA4210705

    Name:
    (S)-4-((8-chloro-3-(4-hydroxybenzyl)-2,5-dioxo-2,3-dihydro-1H-benzo[e][1,4]Show More⌵

    Mol. Formula:
    C24H19ClN2O5

    M.W.:
    450.88

    5  activity values

    5   unique targets

    Type:
    Small molecule

    AlogP:
    3.95

    Polar Surface Area:
    106.94

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  19. ALA4210702

    Name:
    (R)-4-((8-chloro-3-(2-chlorobenzyl)-2,5-dioxo-2,3-dihydro-1H-benzo[e][1,4]dShow More⌵

    Mol. Formula:
    C24H18Cl2N2O4

    M.W.:
    469.32

    5  activity values

    5   unique targets

    Type:
    Small molecule

    AlogP:
    4.90

    Polar Surface Area:
    86.71

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  20. ALA4210699

    Name:
    (R)-4-((8-chloro-3-(2-methylbenzyl)-2,5-dioxo-2,3-dihydro-1H-benzo[e][1,4]dShow More⌵

    Mol. Formula:
    C25H21ClN2O4

    M.W.:
    448.91

    5  activity values

    5   unique targets

    Type:
    Small molecule

    AlogP:
    4.55

    Polar Surface Area:
    86.71

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
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