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  1. ALA4514746

    Name:
    3-(1-(4-(4-bromophenyl)thiazol-2-yl)-3-methyl-1H-p
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    Mol. Formula:
    C22H14BrN3O2S

    M.W.:
    464.34

    Type:
    Unknown

    AlogP:
    5.84

    Polar Surface Area:
    60.92

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  2. ALA4514588

    Name:
    NA

    Mol. Formula:
    C22H12ClF3N6O2S

    M.W.:
    516.89

    Type:
    Unknown

    AlogP:
    5.99

    Polar Surface Area:
    94.82

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  3. ALA4514493

    Name:
    (E)-6-(2,4-dihydroxy-5-methylphenyl)-6-oxohex-2-en
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    Mol. Formula:
    C13H14O5

    M.W.:
    250.25

    Type:
    Unknown

    AlogP:
    2.01

    Polar Surface Area:
    94.83

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  4. ALA4514372

    Name:
    4-Chloro-2-hydroxy-N-[2-(5-methyl-1H-indol-3-yl)-e
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    Mol. Formula:
    C18H17ClN2O2

    M.W.:
    328.80

    Type:
    Unknown

    AlogP:
    3.81

    Polar Surface Area:
    65.12

    HBA:
    2

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  5. ALA4514297

    Name:
    (2R,4aS,6aS,12bR,14aS)-(4-(2,6-dimethoxy-4-(3-meth
    Show More

    Mol. Formula:
    C45H56O9

    M.W.:
    740.93

    Type:
    Unknown

    AlogP:
    8.99

    Polar Surface Area:
    117.59

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  6. ALA4514249

    Name:
    6-fluoro-3-(2-methoxyphenylselanyl)-2-phenylimidaz
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    Mol. Formula:
    C20H15FN2OSe

    M.W.:
    397.31

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA4514120

    Name:
    3-(1-(4-(4-methoxyphenyl)thiazol-2-yl)-3-methyl-1H
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    Mol. Formula:
    C23H17N3O3S

    M.W.:
    415.47

    Type:
    Unknown

    AlogP:
    5.09

    Polar Surface Area:
    70.15

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  8. ALA4513994

    Name:
    N-(4-(5-hydroxy-6,7-dimethoxy-4-oxo-4H-chromen-2-y
    Show More

    Mol. Formula:
    C25H21NO7

    M.W.:
    447.44

    Type:
    Unknown

    AlogP:
    4.44

    Polar Surface Area:
    107.23

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  9. ALA4513957

    Name:
    Basimarol C

    Mol. Formula:
    C29H36O9

    M.W.:
    528.60

    Type:
    Unknown

    AlogP:
    2.17

    Polar Surface Area:
    139.59

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  10. ALA4513731

    Name:
    (1R,2R,5R,6S)-2-(2'-hydroxy-3',4',5'-trimethoxyphe
    Show More

    Mol. Formula:
    C29H36O14

    M.W.:
    608.59

    Type:
    Unknown

    AlogP:
    0.70

    Polar Surface Area:
    173.22

    HBA:
    14

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  11. ALA4513723

    Name:
    tert-butyl (2-((4-((2,5-dioxopyrrolidin-3-yl)methy
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    Mol. Formula:
    C30H37NO7

    M.W.:
    523.63

    Type:
    Unknown

    AlogP:
    5.29

    Polar Surface Area:
    100.16

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  12. ALA4513718

    Name:
    3,6-Anhydro-2-deoxy-5,7-di-O-methyl-7-C-phenyl-L-g
    Show More

    Mol. Formula:
    C15H18O5

    M.W.:
    278.30

    Type:
    Unknown

    AlogP:
    1.47

    Polar Surface Area:
    53.99

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  13. ALA4513416

    Name:
    (E/Z)-4-(2-(2-((2-nitro-9H-fluoren-9-ylidene)methy
    Show More

    Mol. Formula:
    C26H24N2O4

    M.W.:
    428.49

    Type:
    Unknown

    AlogP:
    4.88

    Polar Surface Area:
    64.84

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  14. ALA4483742

    Name:
    (2E,4E)-1-(2,6-dihydroxy-3,5-dimethylphenyl)hexa-2
    Show More

    Mol. Formula:
    C14H16O3

    M.W.:
    232.28

    Type:
    Unknown

    AlogP:
    3.03

    Polar Surface Area:
    57.53

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  15. ALA4483612

    Name:
    N-(2-(diethylamino)ethyl)-1-ethyl-4-(3-(4-(3-hydro
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    Mol. Formula:
    C31H49N3O2

    M.W.:
    495.75

    Type:
    Unknown

    AlogP:
    5.00

    Polar Surface Area:
    55.81

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  16. ALA4483535

    Name:
    2-Methoxy-5-(4-((2-(piperidin-1-yl)ethyl)amino)qui
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    Mol. Formula:
    C23H27N5O2

    M.W.:
    405.50

    Type:
    Unknown

    AlogP:
    3.30

    Polar Surface Area:
    93.37

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  17. ALA4483533

    Name:
    (E/Z)-1-(2-(2-((2-nitro-9H-fluoren-9-ylidene)methy
    Show More

    Mol. Formula:
    C26H25N3O3

    M.W.:
    427.50

    Type:
    Unknown

    AlogP:
    4.45

    Polar Surface Area:
    67.64

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  18. ALA4483376

    Name:
    4-(7-Bromo-6-hydroxy-4-methoxybenzofuran-5-yl)-6-(
    Show More

    Mol. Formula:
    C18H13BrN2O4S

    M.W.:
    433.28

    Type:
    Unknown

    AlogP:
    5.60

    Polar Surface Area:
    84.42

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  19. ALA4483306

    Name:
    (3-(3-(3',6-dimethoxybiphenyl-3-ylcarboxamido)-8-m
    Show More

    Mol. Formula:
    C46H41BrNO6P

    M.W.:
    814.71

    Type:
    Unknown

    AlogP:
    8.80

    Polar Surface Area:
    87.00

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  20. ALA4476852

    Name:
    (20R)-25-methoxy-dammarane-20-ol-3beta,12beta-diyl
    Show More

    Mol. Formula:
    C45H64O6

    M.W.:
    701.00

    Type:
    Unknown

    AlogP:
    10.08

    Polar Surface Area:
    82.06

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
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