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  1. ALA5281169

    Name:
    Aminoxyrone

    Mol. Formula:
    C50H71N7O14

    M.W.:
    994.15

    Type:
    ---

    AlogP:
    4.45

    Polar Surface Area:
    282.30

    HBA:
    14

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    32

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  2. ALA4789970

    Name:
    4-Isopropyl-N-(4-((2-(piperazin-1-yl)pyrimidin-4-y
    Show More

    Mol. Formula:
    C23H29ClN6O2S

    M.W.:
    489.05

    Type:
    Unknown

    AlogP:
    3.55

    Polar Surface Area:
    99.25

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  3. ALA4781610

    Name:
    4-Bromo-N-(4-((2-(piperazin-1-yl)pyrimidin-4-yl)am
    Show More

    Mol. Formula:
    C20H22BrClN6O2S

    M.W.:
    525.86

    Type:
    Unknown

    AlogP:
    3.19

    Polar Surface Area:
    99.25

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  4. ALA1604699

    Name:
    SID24724320

    Cas Number:
    5950-69-6

    Mol. Formula:
    C18H14O8

    M.W.:
    358.30

    Type:
    Small molecule

    AlogP:
    -1.48

    Polar Surface Area:
    155.52

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  5. ALA1603087

    Name:
    SID24724299

    Cas Number:
    101832-73-9

    Mol. Formula:
    C10H12N2

    M.W.:
    160.22

    Type:
    Small molecule

    AlogP:
    2.37

    Polar Surface Area:
    41.81

    HBA:
    1

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.57

    DETAILS
  6. ALA1602711

    Name:
    SID4255708

    Cas Number:
    6103-82-8

    Mol. Formula:
    C12H13NO2S2

    M.W.:
    267.38

    Type:
    Small molecule

    AlogP:
    3.34

    Polar Surface Area:
    39.19

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  7. ALA1601990

    Name:
    SID4256103

    Cas Number:
    457925-90-5

    Mol. Formula:
    C18H22N2O2

    M.W.:
    298.39

    Type:
    Small molecule

    AlogP:
    3.75

    Polar Surface Area:
    50.36

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  8. ALA1601490

    Name:
    SID4241826

    Mol. Formula:
    C20H17N3O3

    M.W.:
    347.37

    Type:
    Small molecule

    AlogP:
    2.69

    Polar Surface Area:
    75.44

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  9. ALA1601286

    Name:
    SID24724338

    Mol. Formula:
    C16H17N5O4

    M.W.:
    343.34

    Type:
    Small molecule

    AlogP:
    0.31

    Polar Surface Area:
    92.31

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  10. ALA4547943

    Name:
    N-(5,6-dimethoxypyridin-2-yl)-5-methoxy-2,2-dimeth
    Show More

    Mol. Formula:
    C26H33N3O5

    M.W.:
    467.57

    Type:
    Unknown

    AlogP:
    4.03

    Polar Surface Area:
    73.36

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  11. ALA4546567

    Name:
    N-(3,4-dimethoxyphenyl)-5-methoxy-2,2-dimethyl-N-(
    Show More

    Mol. Formula:
    C24H30N2O5

    M.W.:
    426.51

    Type:
    Unknown

    AlogP:
    3.76

    Polar Surface Area:
    69.26

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  12. ALA4550444

    Name:
    N-(2-fluoro-3,4-dimethoxyphenyl)-5-methoxy-N,2,2-t
    Show More

    Mol. Formula:
    C22H24FNO5

    M.W.:
    401.43

    Type:
    Unknown

    AlogP:
    4.31

    Polar Surface Area:
    57.23

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  13. ALA4776423

    Name:
    4-Chloro-N-(4-((2-(piperazin-1-yl)pyrimidin-4-yl)a
    Show More

    Mol. Formula:
    C20H22Cl2N6O2S

    M.W.:
    481.41

    Type:
    Unknown

    AlogP:
    3.08

    Polar Surface Area:
    99.25

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  14. ALA4524610

    Name:
    N-(3-aminopropyl)-N-(5,6-dimethoxypyridin-2-yl)-5-
    Show More

    Mol. Formula:
    C23H29N3O5

    M.W.:
    427.50

    Type:
    Unknown

    AlogP:
    3.29

    Polar Surface Area:
    96.14

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  15. ALA4541006

    Name:
    N-(2-(benzyloxy)ethyl)-N-(3,4-dimethoxyphenyl)-5-m
    Show More

    Mol. Formula:
    C30H33NO6

    M.W.:
    503.60

    Type:
    Unknown

    AlogP:
    5.76

    Polar Surface Area:
    66.46

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  16. ALA4540960

    Name:
    N-(5,6-dimethoxypyridin-2-yl)-N-(3-fluorobenzyl)-5
    Show More

    Mol. Formula:
    C27H27FN2O5

    M.W.:
    478.52

    Type:
    Unknown

    AlogP:
    5.28

    Polar Surface Area:
    70.12

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  17. ALA5268220

    Name:
    N-((3S,4R,5R,6R)-4,5-bis(benzyloxy)-6-((benzyloxy)
    Show More

    Mol. Formula:
    C39H41FN4O6

    M.W.:
    680.78

    Type:
    ---

    AlogP:
    5.46

    Polar Surface Area:
    116.96

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  18. ALA4755068

    Name:
    N-(4-((2-(piperazin-1-yl)pyrimidin-4-yl)amino)phen
    Show More

    Mol. Formula:
    C21H22ClF3N6O3S

    M.W.:
    530.96

    Type:
    Unknown

    AlogP:
    3.33

    Polar Surface Area:
    108.48

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  19. ALA4754689

    Name:
    4N-[(2-amino-6-methyl-pyrimidin-4-yl)methyl]-4-[[(
    Show More

    Mol. Formula:
    C17H19N5O4S

    M.W.:
    389.44

    Type:
    Unknown

    AlogP:
    1.09

    Polar Surface Area:
    136.30

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  20. ALA4754663

    Name:
    3-(2-(4-methoxybenzamido)benzamido)propanoic acid

    Mol. Formula:
    C18H18N2O5

    M.W.:
    342.35

    Type:
    Unknown

    AlogP:
    2.15

    Polar Surface Area:
    104.73

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
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