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  1. ALA4879114

    Name:
    NA

    Mol. Formula:
    C28H29ClN4O4

    M.W.:
    521.02

    Type:
    Unknown

    AlogP:
    2.41

    Polar Surface Area:
    110.71

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  2. ALA4878891

    Name:
    multiferone B

    Mol. Formula:
    C20H20O8

    M.W.:
    388.37

    Type:
    Unknown

    AlogP:
    1.91

    Polar Surface Area:
    103.68

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  3. ALA4878281

    Name:
    NA

    Mol. Formula:
    C28H29ClN4O4

    M.W.:
    521.02

    Type:
    Unknown

    AlogP:
    2.41

    Polar Surface Area:
    110.71

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  4. ALA4878105

    Name:
    NA

    Mol. Formula:
    C28H29ClN4O4

    M.W.:
    521.02

    Type:
    Unknown

    AlogP:
    2.41

    Polar Surface Area:
    110.71

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  5. ALA4875882

    Name:
    NA

    Mol. Formula:
    C28H29ClN4O4

    M.W.:
    521.02

    Type:
    Unknown

    AlogP:
    2.41

    Polar Surface Area:
    110.71

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  6. ALA4874437

    Name:
    NA

    Mol. Formula:
    C28H29ClN4O4

    M.W.:
    521.02

    Type:
    Unknown

    AlogP:
    2.41

    Polar Surface Area:
    110.71

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  7. ALA4871580

    Name:
    boeravinone C

    Mol. Formula:
    C18H16O7

    M.W.:
    344.32

    Type:
    Unknown

    AlogP:
    1.64

    Polar Surface Area:
    105.45

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  8. ALA4868660

    Name:
    NA

    Mol. Formula:
    C28H29ClN4O4

    M.W.:
    521.02

    Type:
    Unknown

    AlogP:
    2.41

    Polar Surface Area:
    110.71

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  9. ALA5287561

    Name:
    N-(1-benzylpiperidin-4-yl)-N-(4-phenylthiazol-2-yl
    Show More

    Mol. Formula:
    C24H27N3OS

    M.W.:
    405.57

    Type:
    ---

    AlogP:
    5.22

    Polar Surface Area:
    36.44

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  10. ALA5286127

    Name:
    (9-(4-benzylpiperazin-1-yl)-6-oxaspiro[4.5]decan-9
    Show More

    Mol. Formula:
    C27H32F3N3O2

    M.W.:
    487.57

    Type:
    ---

    AlogP:
    4.96

    Polar Surface Area:
    45.67

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  11. ALA5285937

    Name:
    (9-(4-benzylpiperazin-1-yl)-6-oxaspiro[4.5]decan-9
    Show More

    Mol. Formula:
    C27H34N2O2

    M.W.:
    418.58

    Type:
    ---

    AlogP:
    4.55

    Polar Surface Area:
    32.78

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  12. ALA5285872

    Name:
    N-methyl-2-((1-methyl-1H-pyrazol-5-yl)(thiophen-2-
    Show More

    Mol. Formula:
    C20H25N3OS

    M.W.:
    355.51

    Type:
    ---

    AlogP:
    3.76

    Polar Surface Area:
    30.29

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  13. ALA5284877

    Name:
    11-Phenylakuammine

    Mol. Formula:
    C28H30N2O4

    M.W.:
    458.56

    Type:
    ---

    AlogP:
    3.69

    Polar Surface Area:
    62.24

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  14. ALA5284021

    Name:
    2-methyl-1'-phenethyl-2,3-dihydro-1H-spiro[isoquin
    Show More

    Mol. Formula:
    C22H26N2O

    M.W.:
    334.46

    Type:
    ---

    AlogP:
    3.35

    Polar Surface Area:
    23.55

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  15. ALA5283278

    Name:
    3-(1-((1-phenyl-1H-1,2,3-triazol-4-yl)methyl)piper
    Show More

    Mol. Formula:
    C20H22N4O

    M.W.:
    334.42

    Type:
    ---

    AlogP:
    3.35

    Polar Surface Area:
    54.18

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  16. ALA5282233

    Name:
    (5S,13S)-13-[[(2S)-2-amino-3-(4-hydroxyphenyl)prop
    Show More

    Mol. Formula:
    C29H36N6O6

    M.W.:
    564.64

    Type:
    ---

    AlogP:
    -0.94

    Polar Surface Area:
    205.74

    HBA:
    7

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  17. ALA5281919

    Name:
    11-(3'-Furanyl)-akuammine

    Mol. Formula:
    C26H28N2O5

    M.W.:
    448.52

    Type:
    ---

    AlogP:
    3.28

    Polar Surface Area:
    75.38

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  18. ALA5281430

    Name:
    N-benzyl-N-methyl-2-((1-methyl-1H-pyrazol-5-yl)(th
    Show More

    Mol. Formula:
    C19H23N3OS

    M.W.:
    341.48

    Type:
    ---

    AlogP:
    3.72

    Polar Surface Area:
    30.29

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  19. ALA5280172

    Name:
    N-1-Ethyl Psuedoakuammigine

    Mol. Formula:
    C23H28N2O3

    M.W.:
    380.49

    Type:
    ---

    AlogP:
    2.70

    Polar Surface Area:
    42.01

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  20. ALA5280075

    Name:
    2-ethyl-1'-phenethyl-2,3-dihydro-1H-spiro[isoquino
    Show More

    Mol. Formula:
    C23H28N2O

    M.W.:
    348.49

    Type:
    ---

    AlogP:
    3.74

    Polar Surface Area:
    23.55

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
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