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  1. ALA5285575

    Name:
    Bisoflavolin L

    Mol. Formula:
    C30H17ClO9

    M.W.:
    556.91

    Type:
    ---

    AlogP:
    6.50

    Polar Surface Area:
    150.57

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  2. ALA5284181

    Name:
    1,5-dihydroxy-6,7-dimethoxyxanthone

    Mol. Formula:
    C15H12O6

    M.W.:
    288.25

    Type:
    ---

    AlogP:
    2.37

    Polar Surface Area:
    89.13

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  3. ALA5284131

    Name:
    Bisoflavolin K

    Mol. Formula:
    C30H17ClO8

    M.W.:
    540.91

    Type:
    ---

    AlogP:
    6.80

    Polar Surface Area:
    130.34

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  4. ALA5281916

    Name:
    methyl 7-amino-5-(4-chlorophenyl)-4-oxo-2-thioxo-2
    Show More

    Mol. Formula:
    C15H12ClN3O4S

    M.W.:
    365.80

    Type:
    ---

    AlogP:
    1.95

    Polar Surface Area:
    110.20

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  5. ALA5281677

    Name:
    8-amino-7-(4-bromophenyl)-8,9-dihydro-6H,7H-chrome
    Show More

    Mol. Formula:
    C20H14BrN3O3

    M.W.:
    424.25

    Type:
    ---

    AlogP:
    3.21

    Polar Surface Area:
    89.85

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  6. ALA5280676

    Name:
    7-amino-5-(4-hydroxyphenyl)-2,4-dioxo-2,3,4,5-tetr
    Show More

    Mol. Formula:
    C14H10N4O4

    M.W.:
    298.26

    Type:
    ---

    AlogP:
    -0.01

    Polar Surface Area:
    144.99

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  7. ALA5278869

    Name:
    7-amino-5-(4-bromophenyl)-2,4-dioxo-2,3,4,5-tetrah
    Show More

    Mol. Formula:
    C14H9BrN4O3

    M.W.:
    361.15

    Type:
    ---

    AlogP:
    1.04

    Polar Surface Area:
    124.76

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  8. ALA5278310

    Name:
    (M)-Bisoflavolin F

    Mol. Formula:
    C31H20O9

    M.W.:
    536.49

    Type:
    ---

    AlogP:
    5.73

    Polar Surface Area:
    150.57

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  9. ALA5290998

    Name:
    7-amino-5-(3-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrah
    Show More

    Mol. Formula:
    C14H9N5O5

    M.W.:
    327.26

    Type:
    ---

    AlogP:
    0.19

    Polar Surface Area:
    167.90

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  10. ALA5290334

    Name:
    Bisoflavolin N

    Mol. Formula:
    C30H17ClO10

    M.W.:
    572.91

    Type:
    ---

    AlogP:
    5.79

    Polar Surface Area:
    181.80

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  11. ALA5289550

    Name:
    7-amino-5-(4-methoxyphenyl)-2,4-dioxo-2,3,4,5-tetr
    Show More

    Mol. Formula:
    C15H12N4O4

    M.W.:
    312.29

    Type:
    ---

    AlogP:
    0.29

    Polar Surface Area:
    133.99

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  12. ALA5289494

    Name:
    7-amino-2,4-dioxo-5-phenyl-2,3,4,5-tetrahydro-1H-p
    Show More

    Mol. Formula:
    C14H10N4O3

    M.W.:
    282.26

    Type:
    ---

    AlogP:
    0.28

    Polar Surface Area:
    124.76

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  13. ALA5288113

    Name:
    Bisoflavolin I

    Mol. Formula:
    C30H17ClO10

    M.W.:
    572.91

    Type:
    ---

    AlogP:
    6.21

    Polar Surface Area:
    170.80

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  14. ALA1098366

    Name:
    1,1'-(2-hydroxy-5-methyl-1,3-phenylene)bis(methan-
    Show More

    Mol. Formula:
    C43H30N6O5

    M.W.:
    710.75

    Type:
    Small molecule

    AlogP:
    6.37

    Polar Surface Area:
    148.87

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    3

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  15. ALA3735075

    Name:
    3-[4-(2-Adamantyl)-1,3-thiazol-2-yl]-2-(2,5-dimeth
    Show More

    Mol. Formula:
    C24H28N2O3S2

    M.W.:
    456.63

    Type:
    Small molecule

    AlogP:
    5.41

    Polar Surface Area:
    51.66

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  16. ALA3735754

    Name:
    3-(4-(Adamantan-1-yl)thiazol-2-yl)-2-(4-methoxyphe
    Show More

    Mol. Formula:
    C23H26N2O2S2

    M.W.:
    426.61

    Type:
    Small molecule

    AlogP:
    5.40

    Polar Surface Area:
    42.43

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  17. ALA3735844

    Name:
    3-(4-(Adamantan-1-yl)thiazol-2-yl)-2-(4-nitropheny
    Show More

    Mol. Formula:
    C22H23N3O3S2

    M.W.:
    441.58

    Type:
    Small molecule

    AlogP:
    5.30

    Polar Surface Area:
    76.34

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  18. ALA3736098

    Name:
    4-Adamantan-1-yl-2'-(4-bromo-phenyl)-[2,3']bithiaz
    Show More

    Mol. Formula:
    C22H23BrN2OS2

    M.W.:
    475.48

    Type:
    Small molecule

    AlogP:
    6.15

    Polar Surface Area:
    33.20

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  19. ALA3735732

    Name:
    3-(4-(Adamantan-1-yl)thiazol-2-yl)-2-(3-fluorophen
    Show More

    Mol. Formula:
    C22H23FN2OS2

    M.W.:
    414.57

    Type:
    Small molecule

    AlogP:
    5.53

    Polar Surface Area:
    33.20

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  20. ALA3735450

    Name:
    4-Adamantan-1-yl-2'-(2,6-dichloro-phenyl)-[2,3']bi
    Show More

    Mol. Formula:
    C22H22Cl2N2OS2

    M.W.:
    465.47

    Type:
    Small molecule

    AlogP:
    6.70

    Polar Surface Area:
    33.20

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
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