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  1. ALA4514281

    Name:
    (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-
    Show More

    Mol. Formula:
    C94H132N22O27

    M.W.:
    2002.22

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA4513950

    Name:
    NA

    Mol. Formula:
    C32H33NO11

    M.W.:
    607.61

    Type:
    Unknown

    AlogP:
    0.97

    Polar Surface Area:
    179.39

    HBA:
    11

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  3. ALA4483555

    Name:
    2-(3,4-Dimethoxyphenyl)pyrimidine

    Mol. Formula:
    C12H12N2O2

    M.W.:
    216.24

    Type:
    Unknown

    AlogP:
    2.16

    Polar Surface Area:
    44.24

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  4. ALA4476824

    Name:
    4-(((5-bromo-2-(prop-2-yn-1-yloxy)benzylidene)amin
    Show More

    Mol. Formula:
    C17H15BrN2O3S

    M.W.:
    407.29

    Type:
    Unknown

    AlogP:
    2.73

    Polar Surface Area:
    81.75

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  5. ALA4476739

    Name:
    3-(4-chlorophenyl)-N-(6-methylbenzo[d]thiazol-2-yl
    Show More

    Mol. Formula:
    C24H17ClN4OS

    M.W.:
    444.95

    Type:
    Unknown

    AlogP:
    6.36

    Polar Surface Area:
    59.81

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  6. ALA4476675

    Name:
    sodium (2R)-2-[(2R,5S,6R)-6-[(1S,2S,3S,5R)-5-[(3S,
    Show More

    Mol. Formula:
    C49H75NaO11

    M.W.:
    863.12

    Type:
    Unknown

    AlogP:
    8.41

    Polar Surface Area:
    150.21

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  7. ALA4476580

    Name:
    (-)-Lychnopholide

    Cas Number:
    77448-64-7

    Mol. Formula:
    C20H22O6

    M.W.:
    358.39

    Type:
    Unknown

    AlogP:
    2.55

    Polar Surface Area:
    78.90

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  8. ALA4476344

    Name:
    (+)-Eremantholide C

    Mol. Formula:
    C19H22O6

    M.W.:
    346.38

    Type:
    Unknown

    AlogP:
    1.79

    Polar Surface Area:
    82.06

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  9. ALA4475813

    Name:
    NA

    Mol. Formula:
    C32H33NO11

    M.W.:
    607.61

    Type:
    Unknown

    AlogP:
    0.97

    Polar Surface Area:
    179.39

    HBA:
    11

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  10. ALA4475016

    Name:
    3-((1-(3-((2-oxo-2H-chromen-7-yl)oxy)propyl)-1H-1,
    Show More

    Mol. Formula:
    C22H19N3O5

    M.W.:
    405.41

    Type:
    Unknown

    AlogP:
    3.25

    Polar Surface Area:
    96.45

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  11. ALA4474843

    Name:
    N-(5-Phenylthiazol-2-yl)acrylamide

    Mol. Formula:
    C12H10N2OS

    M.W.:
    230.29

    Type:
    Unknown

    AlogP:
    2.93

    Polar Surface Area:
    41.99

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.82

    DETAILS
  12. ALA4474410

    Name:
    2-((1-((1-(3,4-dimethoxyphenyl)-9H-pyrido[3,4-b]in
    Show More

    Mol. Formula:
    C35H26N6O4

    M.W.:
    594.63

    Type:
    Unknown

    AlogP:
    5.99

    Polar Surface Area:
    115.23

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  13. ALA4474147

    Name:
    N-(1-Phenyl-1H-pyrazol-4-yl)acrylamide

    Mol. Formula:
    C12H11N3O

    M.W.:
    213.24

    Type:
    Unknown

    AlogP:
    2.00

    Polar Surface Area:
    46.92

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.79

    DETAILS
  14. Type:
    Unknown

    AlogP:
    6.78

    Polar Surface Area:
    80.32

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  15. ALA4540475

    Name:
    3R,5-dihydroxy-2,2,8,8-tetramethyl-6-(2-methylprop
    Show More

    Mol. Formula:
    C20H24O6

    M.W.:
    360.41

    Type:
    Unknown

    AlogP:
    3.13

    Polar Surface Area:
    93.06

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  16. ALA4539838

    Name:
    (E)-2-(2-(4-(3-(3,4,5-Trifluorophenyl)acryloyl)pip
    Show More

    Mol. Formula:
    C27H22F3N3O3

    M.W.:
    493.49

    Type:
    Unknown

    AlogP:
    3.71

    Polar Surface Area:
    60.93

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  17. ALA4539418

    Name:
    3R,5-dihydroxy-2,2,8,8-tetramethyl-6-(2Smethylbuta
    Show More

    Mol. Formula:
    C21H26O6

    M.W.:
    374.43

    Type:
    Unknown

    AlogP:
    3.52

    Polar Surface Area:
    93.06

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  18. ALA4538649

    Name:
    N-(6-(3-(2-(2-Chloro-3-(trifluoromethyl)phenyl)ace
    Show More

    Mol. Formula:
    C26H18ClF4N3O3S

    M.W.:
    563.96

    Type:
    Unknown

    AlogP:
    7.43

    Polar Surface Area:
    80.32

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  19. ALA4538518

    Name:
    1-(5,9-dihydroxy-2,2,8,8-tetramethyl-9,10-dihydro-
    Show More

    Mol. Formula:
    C20H26O5

    M.W.:
    346.42

    Type:
    Unknown

    AlogP:
    3.49

    Polar Surface Area:
    75.99

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  20. ALA4537807

    Name:
    N-(6-(4-Fluoro-3-(3-(trifluoromethyl)phenylsulfona
    Show More

    Mol. Formula:
    C24H17F4N3O4S2

    M.W.:
    551.54

    Type:
    Unknown

    AlogP:
    6.40

    Polar Surface Area:
    97.39

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
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