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  1. ALA5278498

    Name:
    5-(2,4-dihydroxy-5-isopropylphenyl)-N-ethyl-4-(4-(
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    Mol. Formula:
    C27H32N2O5

    M.W.:
    464.56

    Type:
    ---

    AlogP:
    4.73

    Polar Surface Area:
    95.17

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  2. ALA4103728

    Name:
    2-(4-(4-(1,3-dioxo-hexahydro-1H-isoindol-2(3H)-yl)
    Show More

    Mol. Formula:
    C28H28N2O6S

    M.W.:
    520.61

    Type:
    Small molecule

    AlogP:
    3.88

    Polar Surface Area:
    108.90

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  3. ALA4102072

    Name:
    2-(3-(4-(3-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoi
    Show More

    Mol. Formula:
    C26H36N4O4

    M.W.:
    468.60

    Type:
    Small molecule

    AlogP:
    1.29

    Polar Surface Area:
    81.24

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  4. ALA4102005

    Name:
    1-(2-(2,6-dioxopiperazin-1-yl)ethyl)piperazine-2,6
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    Mol. Formula:
    C10H14N4O4

    M.W.:
    254.25

    Type:
    Small molecule

    AlogP:
    -3.10

    Polar Surface Area:
    98.82

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  5. ALA4091722

    Name:
    1-(3-(4-(3-(2,6-dioxopiperazin-1-yl)propyl)piperaz
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    Mol. Formula:
    C18H30N6O4

    M.W.:
    394.48

    Type:
    Small molecule

    AlogP:
    -2.70

    Polar Surface Area:
    105.30

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  6. ALA4087430

    Name:
    1-(2-(2,6-dioxopiperazin-1-yl)propyl)piperazine-2,
    Show More

    Mol. Formula:
    C11H16N4O4

    M.W.:
    268.27

    Type:
    Small molecule

    AlogP:
    -2.71

    Polar Surface Area:
    98.82

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  7. ALA4086622

    Name:
    6-(2-(5,7-dioxo-5H-pyrrolo[3,4-b]pyrazin-6(7H)-yl)
    Show More

    Mol. Formula:
    C14H8N6O4

    M.W.:
    324.26

    Type:
    Small molecule

    AlogP:
    -0.84

    Polar Surface Area:
    126.32

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  8. ALA4070780

    Name:
    2-(3-(4-(3-(1,3-dioxo-hexahydro-1H-isoindol-2(3H)-
    Show More

    Mol. Formula:
    C26H40N4O4

    M.W.:
    472.63

    Type:
    Small molecule

    AlogP:
    1.73

    Polar Surface Area:
    81.24

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  9. ALA4060286

    Name:
    2-(4-(4-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoindo
    Show More

    Mol. Formula:
    C28H24N2O6S

    M.W.:
    516.58

    Type:
    Small molecule

    AlogP:
    3.43

    Polar Surface Area:
    108.90

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  10. ALA4059502

    Name:
    2-(3-(9-(3-(1,3-dioxo-hexahydro-1H-isoindol-2(3H)-
    Show More

    Mol. Formula:
    C29H42N2O8

    M.W.:
    546.66

    Type:
    Small molecule

    AlogP:
    2.63

    Polar Surface Area:
    111.68

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  11. ALA4083886

    Name:
    2-(2-(2-(2-(1,3-dioxo-hexahydro-1H-isoindol-2(3H)-
    Show More

    Mol. Formula:
    C22H32N2O6

    M.W.:
    420.51

    Type:
    Small molecule

    AlogP:
    1.37

    Polar Surface Area:
    93.22

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  12. ALA4076713

    Name:
    2-(3-(9-(3-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoi
    Show More

    Mol. Formula:
    C29H38N2O8

    M.W.:
    542.63

    Type:
    Small molecule

    AlogP:
    2.18

    Polar Surface Area:
    111.68

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  13. ALA4076601

    Name:
    1-(2-(2-(2-(2,6-dioxopiperazin-1-yl)ethoxy)ethoxy)
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    Mol. Formula:
    C14H22N4O6

    M.W.:
    342.35

    Type:
    Small molecule

    AlogP:
    -3.06

    Polar Surface Area:
    117.28

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  14. ALA4065194

    Name:
    1-(3-(2,6-dioxopiperazin-1-yl)propyl)piperazine-2,
    Show More

    Mol. Formula:
    C11H16N4O4

    M.W.:
    268.27

    Type:
    Small molecule

    AlogP:
    -2.71

    Polar Surface Area:
    98.82

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  15. ALA4074915

    Name:
    1-(3-(9-(3-(2,6-dioxopiperazin-1-yl)propyl)-(2,4,8
    Show More

    Mol. Formula:
    C21H32N4O8

    M.W.:
    468.51

    Type:
    Small molecule

    AlogP:
    -1.80

    Polar Surface Area:
    135.74

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  16. ALA4079481

    Name:
    2-(2-(2-(2-(1,3-dioxo-3a,4,7,7a-tetrahydro-1H-isoi
    Show More

    Mol. Formula:
    C22H28N2O6

    M.W.:
    416.47

    Type:
    Small molecule

    AlogP:
    0.92

    Polar Surface Area:
    93.22

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  17. ALA3792513

    Name:
    1-(3-Amino-4-methoxyphenyl)-4-methyl-[1,2,4]-triaz
    Show More

    Mol. Formula:
    C17H15N5O2

    M.W.:
    321.34

    Type:
    Small molecule

    AlogP:
    1.84

    Polar Surface Area:
    87.44

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  18. ALA3734914

    Name:
    3-Hydroxy-2-(2-mercaptopyrimidin-4-yl)-4-methyl-7,
    Show More

    Mol. Formula:
    C18H16N2O3S

    M.W.:
    340.40

    Type:
    Small molecule

    AlogP:
    3.43

    Polar Surface Area:
    76.22

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  19. ALA5209294

    Name:
    2-Ethynyl-N-(7-(hydroxyamino)-7-oxoheptyl)thiazole
    Show More

    Mol. Formula:
    C13H17N3O3S

    M.W.:
    295.36

    Type:
    ---

    AlogP:
    1.31

    Polar Surface Area:
    91.32

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  20. ALA5208134

    Name:
    (2-ethynylthiazol-4-yl)-[4-(4-fluorophenyl)piperaz
    Show More

    Mol. Formula:
    C16H14FN3OS

    M.W.:
    315.37

    Type:
    ---

    AlogP:
    2.23

    Polar Surface Area:
    36.44

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
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