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  1. ALA4483403

    Name:
    Fusarielin J

    Mol. Formula:
    C34H48O6

    M.W.:
    552.75

    Type:
    Unknown

    AlogP:
    5.17

    Polar Surface Area:
    99.52

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  2. ALA4475800

    Name:
    1-(4-Methoxyphenyl)-3-(2,2,4,4-tetramethylthiochro
    Show More

    Mol. Formula:
    C21H26N2OS2

    M.W.:
    386.59

    Type:
    Unknown

    AlogP:
    6.06

    Polar Surface Area:
    33.29

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  3. ALA4474732

    Name:
    Carbamic acid(8S,9S,12S,13R,14S,16S,17S)-13,22-dih
    Show More

    Mol. Formula:
    C35H46N2O8

    M.W.:
    622.76

    Type:
    Unknown

    AlogP:
    5.45

    Polar Surface Area:
    149.57

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  4. ALA4474199

    Name:
    7-((4-fluorobenzyl)oxy)-N-(3-fluorophenyl)quinolin
    Show More

    Mol. Formula:
    C22H16F2N2O

    M.W.:
    362.38

    Type:
    Unknown

    AlogP:
    5.84

    Polar Surface Area:
    34.15

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  5. ALA4540683

    Name:
    (4S,5S)-5-((S)-3-methoxy-2-methyl-5-oxocyclopent-1
    Show More

    Cas Number:
    128286-96-4

    Mol. Formula:
    C16H20O5

    M.W.:
    292.33

    Type:
    Unknown

    AlogP:
    1.76

    Polar Surface Area:
    69.67

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  6. ALA4539752

    Name:
    1-(4,4-Dimethylthiochroman-6-yl)-3-(4-(trifluorome
    Show More

    Mol. Formula:
    C19H19F3N2S2

    M.W.:
    396.50

    Type:
    Unknown

    AlogP:
    6.29

    Polar Surface Area:
    24.06

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  7. ALA4522095

    Name:
    7-(3-Hydroxy-4-methoxyphenyl)-1-(3,4,5-trimethoxyb
    Show More

    Mol. Formula:
    C23H23N3O6

    M.W.:
    437.45

    Type:
    Unknown

    AlogP:
    3.18

    Polar Surface Area:
    107.83

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  8. ALA4519852

    Name:
    Paspalinine-13-ene

    Mol. Formula:
    C27H29NO3

    M.W.:
    415.53

    Type:
    Unknown

    AlogP:
    5.13

    Polar Surface Area:
    51.32

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  9. ALA4533241

    Name:
    27-O-(Tributylsilyl)-4-dehydroxy-4-oxowithaferin A

    Mol. Formula:
    C40H62O6Si

    M.W.:
    667.02

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA4532674

    Name:
    octadecyl 4-(4-(bis(2-chloroethyl)amino)phenyl)but
    Show More

    Mol. Formula:
    C32H55Cl2NO2

    M.W.:
    556.70

    Type:
    Unknown

    AlogP:
    10.10

    Polar Surface Area:
    29.54

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    26

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  11. ALA4532578

    Name:
    N-Ethyl-6-(3-hydroxy-4-methoxyphenyl)-2-oxo-1-(3,4
    Show More

    Mol. Formula:
    C25H26N4O7

    M.W.:
    494.50

    Type:
    Unknown

    AlogP:
    2.87

    Polar Surface Area:
    136.93

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  12. ALA4531924

    Name:
    (E)-N-(4-Bromophenyl)-7-cyano-6-((pyridin-3-ylmeth
    Show More

    Mol. Formula:
    C21H16BrN5O

    M.W.:
    434.30

    Type:
    Unknown

    AlogP:
    4.47

    Polar Surface Area:
    83.07

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  13. ALA4560186

    Name:
    (E)-N-(4-Bromophenyl)-7-cyano-6-((thiophen-2-ylmet
    Show More

    Mol. Formula:
    C20H15BrN4OS

    M.W.:
    439.34

    Type:
    Unknown

    AlogP:
    5.13

    Polar Surface Area:
    70.18

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  14. ALA4560078

    Name:
    3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-h
    Show More

    Mol. Formula:
    C26H22Cl2F21NO2

    M.W.:
    850.33

    Type:
    Unknown

    AlogP:
    10.51

    Polar Surface Area:
    29.54

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  15. ALA4559208

    Name:
    2-Methoxy-5-(2-oxo-1-(3,4,5-trimethoxyphenyl)-2,3-
    Show More

    Mol. Formula:
    C23H21N3O7

    M.W.:
    451.44

    Type:
    Unknown

    AlogP:
    3.11

    Polar Surface Area:
    124.90

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  16. ALA4557925

    Name:
    1-(4-Cyanophenyl)-3-(2,2,4,4-tetramethylthiochroma
    Show More

    Mol. Formula:
    C21H23N3OS

    M.W.:
    365.50

    Type:
    Unknown

    AlogP:
    5.75

    Polar Surface Area:
    64.92

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  17. ALA4557781

    Name:
    Reblastatin

    Mol. Formula:
    C30H46N2O8

    M.W.:
    562.70

    Type:
    Unknown

    AlogP:
    4.48

    Polar Surface Area:
    149.57

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  18. ALA4557595

    Name:
    (3R,6S,9S,12S,15R)-3-((1H-indol-3-yl)methyl)-15-is
    Show More

    Mol. Formula:
    C37H56N8O7

    M.W.:
    724.90

    Type:
    Unknown

    AlogP:
    0.78

    Polar Surface Area:
    219.49

    HBA:
    7

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  19. ALA4557315

    Name:
    (E)-N-(4-Bromophenyl)-7-cyano-6-((4-hydroxybenzyli
    Show More

    Mol. Formula:
    C22H17BrN4O2

    M.W.:
    449.31

    Type:
    Unknown

    AlogP:
    4.78

    Polar Surface Area:
    90.41

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  20. ALA4556665

    Name:
    6-(4-Methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-1,3
    Show More

    Mol. Formula:
    C22H21N3O5

    M.W.:
    407.43

    Type:
    Unknown

    AlogP:
    3.42

    Polar Surface Area:
    87.60

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
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