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  1. ALA4762532

    Name:
    5-[[4-[2-oxo-2-(1,1,3-trioxo-1,2-benzothiazol-2-yl
    Show More

    Mol. Formula:
    C19H12N2O7S2

    M.W.:
    444.45

    Type:
    Unknown

    AlogP:
    1.76

    Polar Surface Area:
    126.92

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  2. ALA4759958

    Name:
    N-[2-chloro-4-(trifluoromethyl)phenyl]-2-[4-[(2,4-
    Show More

    Mol. Formula:
    C19H12ClF3N2O4S

    M.W.:
    456.83

    Type:
    Unknown

    AlogP:
    4.70

    Polar Surface Area:
    84.50

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  3. ALA4753740

    Name:
    2-[4-[(2,4-dioxothiazolidin-5-ylidene)methyl]pheno
    Show More

    Mol. Formula:
    C18H13N3O6S

    M.W.:
    399.38

    Type:
    Unknown

    AlogP:
    2.94

    Polar Surface Area:
    127.64

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  4. ALA4753636

    Name:
    N-(4-bromo-2-methylphenyl)-2-[4-[(2,4-dioxothiazol
    Show More

    Mol. Formula:
    C19H15BrN2O4S

    M.W.:
    447.31

    Type:
    Unknown

    AlogP:
    4.10

    Polar Surface Area:
    84.50

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  5. ALA4752682

    Name:
    N-(2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)
    Show More

    Mol. Formula:
    C23H26N4O5S

    M.W.:
    470.55

    Type:
    Unknown

    AlogP:
    3.16

    Polar Surface Area:
    117.17

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  6. ALA4796336

    Name:
    2-[4-[(2,4-dioxothiazolidin-5-ylidene)methyl]pheno
    Show More

    Mol. Formula:
    C20H15N3O4S2

    M.W.:
    425.49

    Type:
    Unknown

    AlogP:
    3.95

    Polar Surface Area:
    97.39

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  7. ALA4799445

    Name:
    2-[4-[(2,4-dioxothiazolidin-5-ylidene)methyl]pheno
    Show More

    Mol. Formula:
    C18H15N3O4S

    M.W.:
    369.40

    Type:
    Unknown

    AlogP:
    2.73

    Polar Surface Area:
    97.39

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  8. ALA4797525

    Name:
    N-(3-chloro-4-methylphenyl)-2-[4-[(2,4-dioxothiazo
    Show More

    Mol. Formula:
    C19H15ClN2O4S

    M.W.:
    402.86

    Type:
    Unknown

    AlogP:
    3.99

    Polar Surface Area:
    84.50

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  9. ALA3747599

    Name:
    apigenin-4'-O-glucoside

    Cas Number:
    28757-27-9

    Mol. Formula:
    C21H20O10

    M.W.:
    432.38

    Type:
    Small molecule

    AlogP:
    0.05

    Polar Surface Area:
    170.05

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  10. ALA3747539

    Name:
    mauritianin

    Cas Number:
    109008-28-8

    Mol. Formula:
    C33H40O19

    M.W.:
    740.66

    Type:
    Small molecule

    AlogP:
    -2.54

    Polar Surface Area:
    308.12

    HBA:
    19

    HBD:
    11

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  11. ALA3746791

    Name:
    alangiflavoside

    Mol. Formula:
    C39H50O24

    M.W.:
    902.81

    Type:
    Small molecule

    AlogP:
    -5.07

    Polar Surface Area:
    387.27

    HBA:
    24

    HBD:
    14

    #RO5 Violations:
    3

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  12. ALA3747460

    Name:
    kaempferol-3-O-alpha-L-rhamnopyranosyl-(1->2)-[6-O
    Show More

    Mol. Formula:
    C33H38O19

    M.W.:
    738.65

    Type:
    Small molecule

    AlogP:
    -1.23

    Polar Surface Area:
    312.80

    HBA:
    18

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  13. ALA3746088

    Name:
    quercetin-3-O-alpha-L-rhamnopyranosyl-(1->2)-[6-O-
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    Mol. Formula:
    C33H38O20

    M.W.:
    754.65

    Type:
    Small molecule

    AlogP:
    -1.52

    Polar Surface Area:
    333.03

    HBA:
    19

    HBD:
    11

    #RO5 Violations:
    3

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  14. ALA3747495

    Name:
    N-(8-methylkaempferol-3-O-[alpha-L-rhamnopyranosyl
    Show More

    Mol. Formula:
    C39H49NO21

    M.W.:
    867.81

    Type:
    Small molecule

    AlogP:
    -3.06

    Polar Surface Area:
    348.66

    HBA:
    21

    HBD:
    12

    #RO5 Violations:
    3

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  15. ALA3745910

    Name:
    N-(8-methylquercetin-3-O-[alpha-L-rhamnopyranosyl-
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    Mol. Formula:
    C39H49NO22

    M.W.:
    883.81

    Type:
    Small molecule

    AlogP:
    -3.35

    Polar Surface Area:
    368.89

    HBA:
    22

    HBD:
    13

    #RO5 Violations:
    3

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  16. ALA3746753

    Name:
    quercetin-3-O-[alpha-L-rhamnopyranosyl-(1->2)-[alp
    Show More

    Mol. Formula:
    C39H50O25

    M.W.:
    918.80

    Type:
    Small molecule

    AlogP:
    -5.36

    Polar Surface Area:
    407.50

    HBA:
    25

    HBD:
    15

    #RO5 Violations:
    3

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  17. ALA3741501

    Name:
    3-methyl-2-(5-(3,4-dichlorophenyl)pyridin-3-yl)qui
    Show More

    Mol. Formula:
    C21H14Cl2N2O

    M.W.:
    381.26

    Type:
    Small molecule

    AlogP:
    5.87

    Polar Surface Area:
    45.75

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  18. ALA4796517

    Name:
    N-(4-bromo-2,6-difluorophenyl)-2-[4-[(2,4-dioxothi
    Show More

    Mol. Formula:
    C18H11BrF2N2O4S

    M.W.:
    469.26

    Type:
    Unknown

    AlogP:
    4.07

    Polar Surface Area:
    84.50

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  19. ALA4781378

    Name:
    2-[4-[(2,4-dioxothiazolidin-5-ylidene)methyl]pheno
    Show More

    Mol. Formula:
    C18H13N3O6S

    M.W.:
    399.38

    Type:
    Unknown

    AlogP:
    2.94

    Polar Surface Area:
    127.64

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  20. ALA3827609

    Name:
    [(4R,5R,6R,8R)-8-(2,4-dioxopyrimidin-1-yl)-5-hydro
    Show More

    Mol. Formula:
    C11H15N2O9P

    M.W.:
    350.22

    Type:
    Small molecule

    AlogP:
    -1.94

    Polar Surface Area:
    160.31

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
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