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  1. ALA4539020

    Name:
    (R)-Tetrahydrofuran-3-yl((2S,3R)-1-((1s,3R)-Adaman
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    Mol. Formula:
    C30H46N2O7S

    M.W.:
    578.77

    Type:
    Unknown

    AlogP:
    4.19

    Polar Surface Area:
    114.40

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  2. ALA4516606

    Name:
    (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl((2S,3R
    Show More

    Mol. Formula:
    C32H48N2O8S

    M.W.:
    620.81

    Type:
    Unknown

    AlogP:
    4.17

    Polar Surface Area:
    123.63

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  3. ALA4515537

    Name:
    (+/-)-N-(1-(1-(4-cyanophenyl)-6,6-dimethyl-4-oxo-4
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    Mol. Formula:
    C25H24N4O2

    M.W.:
    412.49

    Type:
    Unknown

    AlogP:
    4.39

    Polar Surface Area:
    87.78

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  4. ALA4745346

    Name:
    Daphneodorin H; 3-O-(2E,4E,6E)-decatrienoyl-20-O-b
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    Mol. Formula:
    C37H48O10

    M.W.:
    652.78

    Type:
    Unknown

    AlogP:
    3.18

    Polar Surface Area:
    162.98

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  5. ALA4745109

    Name:
    NA

    Mol. Formula:
    C19H22N2O5S2

    M.W.:
    422.53

    Type:
    Unknown

    AlogP:
    -0.04

    Polar Surface Area:
    98.15

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  6. ALA4776317

    Name:
    Daphneodorin G; 12-O-(E)-cinnamoyl-14-O-(2E,4E)-de
    Show More

    Mol. Formula:
    C39H48O11

    M.W.:
    692.80

    Type:
    Unknown

    AlogP:
    2.90

    Polar Surface Area:
    183.35

    HBA:
    11

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  7. ALA4764098

    Name:
    NA

    Mol. Formula:
    C19H22N2O5S2

    M.W.:
    422.53

    Type:
    Unknown

    AlogP:
    -0.33

    Polar Surface Area:
    101.31

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  8. ALA4757398

    Name:
    NA

    Mol. Formula:
    C19H20N2O5S2

    M.W.:
    420.51

    Type:
    Unknown

    AlogP:
    -0.12

    Polar Surface Area:
    98.15

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  9. ALA4581883

    Name:
    (3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl((2S,3R
    Show More

    Mol. Formula:
    C31H47N3O7S

    M.W.:
    605.80

    Type:
    Unknown

    AlogP:
    3.74

    Polar Surface Area:
    140.42

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  10. ALA4777283

    Name:
    12-O-(E)-cinnamoyl-9,13,14-ortho-(2E,4E,6E)-decatr
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    Mol. Formula:
    C39H44O10

    M.W.:
    672.77

    Type:
    Unknown

    AlogP:
    3.88

    Polar Surface Area:
    144.28

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  11. ALA4751848

    Name:
    Acutilobin C

    Mol. Formula:
    C40H46O12

    M.W.:
    718.80

    Type:
    Unknown

    AlogP:
    3.59

    Polar Surface Area:
    173.74

    HBA:
    12

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  12. ALA4790982

    Name:
    12-O-(E)-cinnamoyl-9,13,14-ortho-(2E,4E)-decadieny
    Show More

    Mol. Formula:
    C39H46O10

    M.W.:
    674.79

    Type:
    Unknown

    AlogP:
    4.10

    Polar Surface Area:
    144.28

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  13. ALA4788129

    Name:
    Acutilobin D

    Mol. Formula:
    C40H48O12

    M.W.:
    720.81

    Type:
    Unknown

    AlogP:
    3.82

    Polar Surface Area:
    173.74

    HBA:
    12

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  14. ALA4857443

    Name:
    Nicansteroidin D; 15alpha-acetoxy-16beta,17beta-ep
    Show More

    Mol. Formula:
    C30H38O10

    M.W.:
    558.62

    Type:
    Unknown

    AlogP:
    2.10

    Polar Surface Area:
    141.12

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  15. ALA4856947

    Name:
    Nicansteroidin A; 15alpha-acetoxy-5beta,6beta-epox
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    Mol. Formula:
    C30H40O9

    M.W.:
    544.64

    Type:
    Unknown

    AlogP:
    2.15

    Polar Surface Area:
    142.89

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  16. ALA4856616

    Name:
    Physagulin A

    Mol. Formula:
    C30H38O7

    M.W.:
    510.63

    Type:
    Unknown

    AlogP:
    3.99

    Polar Surface Area:
    102.43

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  17. ALA4847049

    Name:
    Nicansteroidin C; 15alpha-acetoxy-6beta,14beta-dih
    Show More

    Mol. Formula:
    C30H38O9

    M.W.:
    542.63

    Type:
    Unknown

    AlogP:
    2.89

    Polar Surface Area:
    128.59

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  18. ALA5281403

    Name:
    Oxepeucedanin methanolate

    Mol. Formula:
    C17H18O6

    M.W.:
    318.33

    Type:
    ---

    AlogP:
    2.70

    Polar Surface Area:
    82.04

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  19. ALA5278306

    Name:
    3-(4-(methylthio)phenyl)-2H-chromen-2-one

    Mol. Formula:
    C16H12O2S

    M.W.:
    268.34

    Type:
    ---

    AlogP:
    4.18

    Polar Surface Area:
    30.21

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  20. ALA4797613

    Name:
    Daphneodorin D; 12-O-(E)-coumaroyl-9,13,14-ortho-(
    Show More

    Mol. Formula:
    C39H46O11

    M.W.:
    690.79

    Type:
    Unknown

    AlogP:
    3.81

    Polar Surface Area:
    164.51

    HBA:
    11

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
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