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  1. ALA2281750

    Name:
    (4-(2-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridi
    Show More

    Mol. Formula:
    C27H22ClNO2

    M.W.:
    427.93

    Type:
    Small molecule

    AlogP:
    6.34

    Polar Surface Area:
    46.17

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  2. ALA5274931

    Name:
    N-(quinolin-3-yl)-3-((3R,5aS,6R,8aS,9R,10R,12R,12a
    Show More

    Mol. Formula:
    C27H34N2O5

    M.W.:
    466.58

    Type:
    ---

    AlogP:
    5.20

    Polar Surface Area:
    78.91

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  3. ALA5273856

    Name:
    2-(4-hydroxy-3-methoxy-5-(piperidin-1-ylmethyl)ben
    Show More

    Mol. Formula:
    C23H25NO3

    M.W.:
    363.46

    Type:
    ---

    AlogP:
    4.21

    Polar Surface Area:
    49.77

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  4. ALA562810

    Name:
    mulberrofuran W

    Mol. Formula:
    C29H34O4

    M.W.:
    446.59

    Type:
    Small molecule

    AlogP:
    8.18

    Polar Surface Area:
    73.83

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  5. ALA478960

    Name:
    macluraxanthone

    Cas Number:
    5848-14-6

    Mol. Formula:
    C23H22O6

    M.W.:
    394.42

    Type:
    Small molecule

    AlogP:
    4.71

    Polar Surface Area:
    100.13

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  6. ALA517059

    Name:
    isoalvaxanthone

    Cas Number:
    199851-56-4

    Mol. Formula:
    C23H24O6

    M.W.:
    396.44

    Type:
    Small molecule

    AlogP:
    4.74

    Polar Surface Area:
    111.13

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  7. ALA478791

    Name:
    gerontoxanthone I

    Mol. Formula:
    C23H24O6

    M.W.:
    396.44

    Type:
    Small molecule

    AlogP:
    4.74

    Polar Surface Area:
    111.13

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  8. ALA514057

    Name:
    gerontoxanthone H

    Cas Number:
    125140-06-9

    Mol. Formula:
    C23H24O5

    M.W.:
    380.44

    Type:
    Small molecule

    AlogP:
    5.08

    Polar Surface Area:
    90.90

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  9. ALA479107

    Name:
    gerontoxanthone G

    Mol. Formula:
    C23H24O6

    M.W.:
    396.44

    Type:
    Small molecule

    AlogP:
    4.63

    Polar Surface Area:
    100.13

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  10. ALA478938

    Name:
    gerontoxanthone B

    Mol. Formula:
    C23H22O6

    M.W.:
    394.42

    Type:
    Small molecule

    AlogP:
    4.71

    Polar Surface Area:
    100.13

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  11. ALA517514

    Name:
    gerontoxanthone A

    Mol. Formula:
    C23H22O6

    M.W.:
    394.42

    Type:
    Small molecule

    AlogP:
    4.60

    Polar Surface Area:
    89.13

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  12. ALA478937

    Name:
    alvaxanthone

    Mol. Formula:
    C23H24O6

    M.W.:
    396.44

    Type:
    Small molecule

    AlogP:
    4.74

    Polar Surface Area:
    111.13

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  13. ALA517213

    Name:
    Cudraphenone A

    Mol. Formula:
    C23H24O4

    M.W.:
    364.44

    Type:
    Small molecule

    AlogP:
    5.02

    Polar Surface Area:
    66.76

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  14. ALA504992

    Name:
    (23S,24S)-21-acetoxy-3beta,23-dihydroxy-24-[(O-bet
    Show More

    Mol. Formula:
    C58H88O29

    M.W.:
    1249.31

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA508176

    Name:
    (23S,24S)-21-acetoxy-24-[(O-beta-D-glucopyranosyl)
    Show More

    Mol. Formula:
    C58H88O30

    M.W.:
    1265.31

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA525058

    Name:
    (23S,24S)-21-acetoxy-3beta,23,24-trihydroxyspirost
    Show More

    Mol. Formula:
    C52H78O25

    M.W.:
    1103.17

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  17. ALA498912

    Name:
    (23S,24S)-3beta,23,24-trihydroxyspirosta-5,25(27)-
    Show More

    Mol. Formula:
    C50H76O23

    M.W.:
    1045.14

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  18. ALA502661

    Name:
    (23S)-3beta,23-dihydroxyspirosta-5,25(27)-dien-1be
    Show More

    Mol. Formula:
    C50H76O22

    M.W.:
    1029.14

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  19. Type:
    Small molecule

    AlogP:
    0.36

    Polar Surface Area:
    187.12

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  20. ALA443199

    Name:
    5bea,14beta-dihydroxy-19-oxo-3beta-[(alpha-L-rhamn
    Show More

    Cas Number:
    20300-44-1

    Mol. Formula:
    C30H42O10

    M.W.:
    562.66

    Type:
    Small molecule

    AlogP:
    1.39

    Polar Surface Area:
    166.89

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
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