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  1. ALA4878643

    Name:
    2,3-Dihydrophysachenolide C

    Mol. Formula:
    C30H42O9

    M.W.:
    546.66

    Type:
    Unknown

    AlogP:
    2.52

    Polar Surface Area:
    142.89

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  2. ALA4876149

    Name:
    (20S,22R)-18-Acetoxy-4-beta,5-beta-epoxy-6-alpha,1
    Show More

    Mol. Formula:
    C30H40O10

    M.W.:
    560.64

    Type:
    Unknown

    AlogP:
    1.27

    Polar Surface Area:
    163.12

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  3. ALA4875435

    Name:
    7alpha(buta-1,3-dienyl)4-androsten-17alpha-ol-3-on
    Show More

    Mol. Formula:
    C23H32O2

    M.W.:
    340.51

    Type:
    Unknown

    AlogP:
    4.85

    Polar Surface Area:
    37.30

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  4. ALA4875260

    Name:
    (20S,22R)-18-Acetoxy-4-beta,5-beta-epoxy-14-alpha,
    Show More

    Mol. Formula:
    C30H38O10

    M.W.:
    558.62

    Type:
    Unknown

    AlogP:
    1.48

    Polar Surface Area:
    159.96

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  5. ALA4874379

    Name:
    6-Acetoxyphysacoztolide D[(20S,22R)-6-beta,18-diac
    Show More

    Mol. Formula:
    C32H42O10

    M.W.:
    586.68

    Type:
    Unknown

    AlogP:
    2.63

    Polar Surface Area:
    156.66

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  6. ALA4871524

    Name:
    trans,trans,trans-1,6-bis(4-androsten-3,17-dione-7
    Show More

    Mol. Formula:
    C44H56O4

    M.W.:
    648.93

    Type:
    Unknown

    AlogP:
    9.31

    Polar Surface Area:
    68.28

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  7. ALA4871061

    Name:
    6-Acetoxy-6-epi-physacoztolide D[(20S,22R)-6-alpha
    Show More

    Mol. Formula:
    C32H42O10

    M.W.:
    586.68

    Type:
    Unknown

    AlogP:
    2.63

    Polar Surface Area:
    156.66

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  8. ALA4870660

    Name:
    (20S,22R)-6-beta,18-Diacetoxy-4-beta,5-beta-epoxy-
    Show More

    Mol. Formula:
    C32H42O11

    M.W.:
    602.68

    Type:
    Unknown

    AlogP:
    1.84

    Polar Surface Area:
    169.19

    HBA:
    11

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  9. ALA4869841

    Name:
    (20S,22R)-18-Acetoxy-4-beta,5-beta-epoxy-6-beta,14
    Show More

    Mol. Formula:
    C30H40O10

    M.W.:
    560.64

    Type:
    Unknown

    AlogP:
    1.27

    Polar Surface Area:
    163.12

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  10. ALA5287354

    Name:
    3-chloro-5a,9a-dihydrospiro[benzo[b]fluorene-11,1'
    Show More

    Mol. Formula:
    C24H14ClNO3

    M.W.:
    399.83

    Type:
    ---

    AlogP:
    3.60

    Polar Surface Area:
    63.24

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  11. ALA5285989

    Name:
    (2S)-2-[[(1S)-1-carboxy-6-[[4-[[[4-[[[2-[4,7,10-tr
    Show More

    Mol. Formula:
    C45H69N9O16

    M.W.:
    992.09

    Type:
    ---

    AlogP:
    -0.94

    Polar Surface Area:
    365.19

    HBA:
    14

    HBD:
    11

    #RO5 Violations:
    3

    #Rotatable Bonds:
    27

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  12. ALA5285964

    Name:
    (8R,10R,12R,14R)-12-hydroxy-4,4,8,10,14-pentamethy
    Show More

    Mol. Formula:
    C38H53F3O3

    M.W.:
    614.83

    Type:
    ---

    AlogP:
    9.66

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  13. ALA5284087

    Name:
    5a,9a-dihydrospiro[benzo[b]fluorene-11,1'-isoindol
    Show More

    Mol. Formula:
    C24H15NO3

    M.W.:
    365.39

    Type:
    ---

    AlogP:
    2.95

    Polar Surface Area:
    63.24

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  14. ALA5280483

    Name:
    (2S)-2-[[(1S)-1-carboxy-5-[[4-[[[3-(1-naphthyl)-2-
    Show More

    Mol. Formula:
    C49H71N9O16

    M.W.:
    1042.15

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA5279851

    Name:
    (2S)-2-[[(1S)-1-carboxy-5-[[4-[[[2-[4,7,10-tris(ca
    Show More

    Mol. Formula:
    C36H54N8O15

    M.W.:
    838.87

    Type:
    ---

    AlogP:
    -2.25

    Polar Surface Area:
    336.09

    HBA:
    13

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    23

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  16. ALA5279511

    Name:
    (2S)-2-[[(1S)-1-carboxy-5-[[4-[[[4-[[[4-[[[4-[[[2-
    Show More

    Mol. Formula:
    C60H75N11O18

    M.W.:
    1238.32

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  17. ALA4866108

    Name:
    4-alpha-Acetoxyphysachenolide C[(20S,22R)-4-alpha,
    Show More

    Mol. Formula:
    C32H42O11

    M.W.:
    602.68

    Type:
    Unknown

    AlogP:
    1.84

    Polar Surface Area:
    169.19

    HBA:
    11

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  18. ALA4865990

    Name:
    7alpha(buta-1,3-dienyl)4-androsten-17beta-ol-3-one

    Mol. Formula:
    C23H32O2

    M.W.:
    340.51

    Type:
    Unknown

    AlogP:
    4.85

    Polar Surface Area:
    37.30

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  19. ALA4864487

    Name:
    4-beta-Hydroxyphysachenolide D[(20S,22R)-18-acetox
    Show More

    Mol. Formula:
    C30H40O9

    M.W.:
    544.64

    Type:
    Unknown

    AlogP:
    2.06

    Polar Surface Area:
    150.59

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  20. ALA4864434

    Name:
    trans,trans,trans-1,6-bis(17alpha-hydroxy-4-andros
    Show More

    Mol. Formula:
    C44H60O4

    M.W.:
    652.96

    Type:
    Unknown

    AlogP:
    8.89

    Polar Surface Area:
    74.60

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
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