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  1. ALA5287394

    Name:
    (6S)-N-benzyl-6-(4-hydroxybenzyl)-2-methyl-8-(naph
    Show More

    Mol. Formula:
    C33H35N5O3

    M.W.:
    549.68

    Type:
    ---

    AlogP:
    4.20

    Polar Surface Area:
    79.36

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  2. ALA5286169

    Name:
    (4S)-3-(2-((1S,2S,5R,6R,8aR)-5-(((tert-butyldiphen
    Show More

    Mol. Formula:
    C36H48O6Si

    M.W.:
    604.86

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA5283264

    Name:
    Ixocarpalactone A

    Mol. Formula:
    C28H40O8

    M.W.:
    504.62

    Type:
    ---

    AlogP:
    1.37

    Polar Surface Area:
    136.82

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  4. ALA5282882

    Name:
    (6S)-N-benzyl-6-(4-hydroxybenzyl)-8-(naphthalen-1-
    Show More

    Mol. Formula:
    C33H34N4O3

    M.W.:
    534.66

    Type:
    ---

    AlogP:
    4.74

    Polar Surface Area:
    76.12

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  5. ALA5279880

    Name:
    5-(((4-(4-methoxyphenyl)-5-(pyridin-4-yl)-4H-1,2,4
    Show More

    Mol. Formula:
    C24H20N6O2S

    M.W.:
    456.53

    Type:
    ---

    AlogP:
    4.99

    Polar Surface Area:
    91.75

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  6. ALA4789872

    Name:
    2-[1-(4-Chlorobenzoyl)-5-methoxy-2-methyl-1H-indol
    Show More

    Mol. Formula:
    C23H22ClN3O3Se

    M.W.:
    502.86

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA4551151

    Name:
    1-((6aR,11bR)-10-bromo-4-methoxy-6,6a,7,11b-tetrah
    Show More

    Mol. Formula:
    C28H26BrN3O2

    M.W.:
    516.44

    Type:
    Unknown

    AlogP:
    5.86

    Polar Surface Area:
    47.36

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  8. ALA4550136

    Name:
    4-(3-ethynylphenylamino)-6-fluoro-7-morpholinoquin
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    Mol. Formula:
    C20H17FN4O

    M.W.:
    348.38

    Type:
    Unknown

    AlogP:
    3.33

    Polar Surface Area:
    50.28

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  9. ALA4550134

    Name:
    4-(4-(E)-(propen-1-yl)phenylamino)-6-fluoro-7-(4-(
    Show More

    Mol. Formula:
    C24H28FN5O

    M.W.:
    421.52

    Type:
    Unknown

    AlogP:
    4.31

    Polar Surface Area:
    53.52

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  10. ALA4549879

    Name:
    7-[4-(9Z,12Z,15Z)-octadec-9,12,15-trienoyl-piperaz
    Show More

    Mol. Formula:
    C35H46FN3O4

    M.W.:
    591.77

    Type:
    Unknown

    AlogP:
    7.41

    Polar Surface Area:
    82.85

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  11. ALA5274830

    Name:
    (S)-4,11-diethyl-4-hydroxy-3,14-dioxo-3,4,12,14-te
    Show More

    Mol. Formula:
    C36H42N6O13

    M.W.:
    766.76

    Type:
    ---

    AlogP:
    -0.64

    Polar Surface Area:
    259.07

    HBA:
    18

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  12. ALA5271596

    Name:
    Henryin

    Mol. Formula:
    C22H32O6

    M.W.:
    392.49

    Type:
    ---

    AlogP:
    1.61

    Polar Surface Area:
    104.06

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  13. ALA5270172

    Name:
    Raddeanin A

    Mol. Formula:
    C47H76O16

    M.W.:
    897.11

    Type:
    ---

    AlogP:
    2.37

    Polar Surface Area:
    254.52

    HBA:
    15

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  14. ALA5269764

    Name:
    Pinobanksin-3-acetate

    Mol. Formula:
    C17H14O6

    M.W.:
    314.29

    Type:
    ---

    AlogP:
    2.35

    Polar Surface Area:
    93.06

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  15. ALA5268050

    Name:
    1-(4-((2,3-dichlorophenyl)thio)-3-nitrocyclopenta-
    Show More

    Mol. Formula:
    C13H9Cl2NO3S

    M.W.:
    330.19

    Type:
    ---

    AlogP:
    4.49

    Polar Surface Area:
    60.21

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  16. ALA5267289

    Name:
    (S)-4-((S)-2-((S)-3-(1H-indol-3-yl)-2-(2-(5-methyl
    Show More

    Mol. Formula:
    C34H39N5O9

    M.W.:
    661.71

    Type:
    ---

    AlogP:
    2.19

    Polar Surface Area:
    208.78

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  17. ALA5267143

    Name:
    Tubesimoside

    Mol. Formula:
    C63H98O29

    M.W.:
    1319.45

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  18. Type:
    ---

    AlogP:
    4.80

    Polar Surface Area:
    122.37

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  19. ALA5208708

    Name:
    (R)-1-((1-benzyl-1H-1,2,3-triazol-4-yl)methyl)-3-h
    Show More

    Mol. Formula:
    C22H18N4O2S

    M.W.:
    402.48

    Type:
    ---

    AlogP:
    3.17

    Polar Surface Area:
    71.25

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  20. ALA5208140

    Name:
    (R)-1-((1-benzyl-1H-1,2,3-triazol-4-yl)methyl)-3-h
    Show More

    Mol. Formula:
    C24H20N4O2

    M.W.:
    396.45

    Type:
    ---

    AlogP:
    3.11

    Polar Surface Area:
    71.25

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
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