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  1. ALA4475138

    Name:
    4,6-dimethyl-5-phenyl-2-[(N-methylsulphonylpiperaz
    Show More

    Mol. Formula:
    C20H24N4O4S

    M.W.:
    416.50

    Type:
    Unknown

    AlogP:
    1.22

    Polar Surface Area:
    82.93

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  2. ALA4559732

    Name:
    4,6-dimethyl-5-(3-chlorophenyl)-2{[4-(o-fluorophen
    Show More

    Mol. Formula:
    C25H24ClFN4O2

    M.W.:
    466.94

    Type:
    Unknown

    AlogP:
    4.26

    Polar Surface Area:
    48.79

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  3. ALA4556356

    Name:
    4,6-dimethyl-5-phenyl-2-{[4-(o-methoxyphenyl)-1-pi
    Show More

    Mol. Formula:
    C26H28N4O3

    M.W.:
    444.54

    Type:
    Unknown

    AlogP:
    3.48

    Polar Surface Area:
    58.02

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  4. ALA4566815

    Name:
    (2R,3S,4R,5R)-2-(Hydroxymethyl)-5-(6-(4-(4'-(2-hyd
    Show More

    Mol. Formula:
    C29H34N6O5

    M.W.:
    546.63

    Type:
    Unknown

    AlogP:
    1.66

    Polar Surface Area:
    140.23

    HBA:
    11

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  5. ALA4528653

    Name:
    4,6-dimethyl-5-n-butyl-2-{[4-(o-methoxyphenyl)-1-p
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    Mol. Formula:
    C24H32N4O3

    M.W.:
    424.55

    Type:
    Unknown

    AlogP:
    3.29

    Polar Surface Area:
    58.02

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  6. ALA4744167

    Name:
    Balansechromone C

    Mol. Formula:
    C18H16O4

    M.W.:
    296.32

    Type:
    Unknown

    AlogP:
    3.29

    Polar Surface Area:
    59.67

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  7. ALA4743621

    Name:
    Balansechromone B

    Mol. Formula:
    C19H18O5

    M.W.:
    326.35

    Type:
    Unknown

    AlogP:
    3.30

    Polar Surface Area:
    68.90

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  8. ALA4576297

    Name:
    4,6-dimethyl-5-n-butyl-2-{[4-(o-chlorophenyl)-1-pi
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    Mol. Formula:
    C23H29ClN4O2

    M.W.:
    428.96

    Type:
    Unknown

    AlogP:
    3.93

    Polar Surface Area:
    48.79

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  9. ALA4785127

    Name:
    Balansechromanone B

    Mol. Formula:
    C18H18O4

    M.W.:
    298.34

    Type:
    Unknown

    AlogP:
    3.37

    Polar Surface Area:
    55.76

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.94

    DETAILS
  10. ALA4784267

    Name:
    Rhamnoneuroside A

    Mol. Formula:
    C35H32O15

    M.W.:
    692.63

    Type:
    Unknown

    AlogP:
    1.34

    Polar Surface Area:
    256.29

    HBA:
    15

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  11. ALA4783631

    Name:
    Balansechromone A

    Mol. Formula:
    C18H16O5

    M.W.:
    312.32

    Type:
    Unknown

    AlogP:
    3.00

    Polar Surface Area:
    79.90

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  12. ALA4781859

    Name:
    Rhamnoneuronal B

    Mol. Formula:
    C29H22O10

    M.W.:
    530.49

    Type:
    Unknown

    AlogP:
    3.86

    Polar Surface Area:
    177.14

    HBA:
    10

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  13. ALA4781523

    Name:
    Rhamnoneuronal A

    Mol. Formula:
    C29H22O9

    M.W.:
    514.49

    Type:
    Unknown

    AlogP:
    4.16

    Polar Surface Area:
    156.91

    HBA:
    9

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  14. ALA4753832

    Name:
    Rhamnoneuroside C

    Mol. Formula:
    C35H32O15

    M.W.:
    692.63

    Type:
    Unknown

    AlogP:
    1.34

    Polar Surface Area:
    256.29

    HBA:
    15

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  15. ALA4753674

    Name:
    4'-(1-decyl-2,3-triazol-4-yl)phenyl-2,2':6',2"-ter
    Show More

    Mol. Formula:
    C33H36N6

    M.W.:
    516.69

    Type:
    Unknown

    AlogP:
    8.27

    Polar Surface Area:
    69.38

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  16. ALA4792419

    Name:
    Rhamnoneuroside B

    Mol. Formula:
    C35H32O15

    M.W.:
    692.63

    Type:
    Unknown

    AlogP:
    1.34

    Polar Surface Area:
    256.29

    HBA:
    15

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  17. ALA4791240

    Name:
    Balansechromanone A

    Mol. Formula:
    C17H16O3

    M.W.:
    268.31

    Type:
    Unknown

    AlogP:
    3.36

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.93

    DETAILS
  18. ALA4860650

    Name:
    N-(2,3-Dimethylphenyl)-4-(2-((4-methoxybenzyl)amin
    Show More

    Mol. Formula:
    C25H26N2O4

    M.W.:
    418.49

    Type:
    Unknown

    AlogP:
    4.26

    Polar Surface Area:
    76.66

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  19. ALA4857002

    Name:
    N-(2-Fluoro-5-(trifluoromethyl)phenyl)-4-(2-((4-me
    Show More

    Mol. Formula:
    C24H20F4N2O4

    M.W.:
    476.43

    Type:
    Unknown

    AlogP:
    4.80

    Polar Surface Area:
    76.66

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  20. ALA4877493

    Name:
    4-(2-((4-Chlorobenzyl)amino)-2-oxoethoxy)-N-(2,3-d
    Show More

    Mol. Formula:
    C24H23ClN2O3

    M.W.:
    422.91

    Type:
    Unknown

    AlogP:
    4.90

    Polar Surface Area:
    67.43

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
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