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  1. ALA4760181

    Name:
    [(1R,4S,5S,6S)-1-[(1S,2R,3R)-5-[3-[2-[2-[2-[2-[5-[
    Show More

    Mol. Formula:
    C72H124N6O18S

    M.W.:
    1393.88

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA4587875

    Name:
    Cylindroxanthone B

    Mol. Formula:
    C21H20O8

    M.W.:
    400.38

    Type:
    Unknown

    AlogP:
    3.57

    Polar Surface Area:
    107.59

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  3. ALA5280640

    Name:
    Biselyngbyaside E

    Mol. Formula:
    C34H52O11

    M.W.:
    636.78

    Type:
    ---

    AlogP:
    3.96

    Polar Surface Area:
    153.37

    HBA:
    11

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  4. ALA5287246

    Name:
    Glucopiericidinol A1

    Mol. Formula:
    C31H47NO10

    M.W.:
    593.71

    Type:
    ---

    AlogP:
    2.56

    Polar Surface Area:
    171.19

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  5. ALA4461541

    Name:
    Cylindroxanthone A

    Mol. Formula:
    C22H22O8

    M.W.:
    414.41

    Type:
    Unknown

    AlogP:
    3.87

    Polar Surface Area:
    96.59

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  6. ALA4459191

    Name:
    Toxyloxanthone B

    Mol. Formula:
    C19H16O5

    M.W.:
    324.33

    Type:
    Unknown

    AlogP:
    3.12

    Polar Surface Area:
    86.99

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  7. ALA4649270

    Name:
    3,4-dihydroquinolizinium

    Mol. Formula:
    C9H10N+

    M.W.:
    132.19

    Type:
    Unknown

    AlogP:
    1.39

    Polar Surface Area:
    3.88

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.47

    DETAILS
  8. ALA4649014

    Name:
    1-butyl-3,5-dimethyl-2-[1-methylhex-1-enyl]pyridin
    Show More

    Mol. Formula:
    C18H30N+

    M.W.:
    260.44

    Type:
    Unknown

    AlogP:
    4.98

    Polar Surface Area:
    3.88

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  9. ALA4649000

    Name:
    Quinocidin

    Mol. Formula:
    C19H28N+

    M.W.:
    270.44

    Type:
    Unknown

    AlogP:
    4.85

    Polar Surface Area:
    3.88

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  10. ALA4649573

    Name:
    6-[dec-1-enyl]-3,7,9-trimethyl-3,4-dihydroquinoliz
    Show More

    Mol. Formula:
    C22H34N+

    M.W.:
    312.52

    Type:
    Unknown

    AlogP:
    6.02

    Polar Surface Area:
    3.88

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  11. ALA4644203

    Name:
    3,7,9-trimethyl-6-[1-methylhex-1-enyl]-1,2,3,4-tet
    Show More

    Mol. Formula:
    C19H30N+

    M.W.:
    272.46

    Type:
    Unknown

    AlogP:
    4.77

    Polar Surface Area:
    3.88

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  12. ALA4644143

    Name:
    6-[hex-1-enyl]-3,7,9-trimethyl-3,4-dihydroquinoliz
    Show More

    Mol. Formula:
    C18H26N+

    M.W.:
    256.41

    Type:
    Unknown

    AlogP:
    4.46

    Polar Surface Area:
    3.88

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  13. ALA4641650

    Name:
    3,7,9-trimethyl-6-[tetradec-1-enyl]-3,4-dihydroqui
    Show More

    Mol. Formula:
    C26H42N+

    M.W.:
    368.63

    Type:
    Unknown

    AlogP:
    7.58

    Polar Surface Area:
    3.88

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  14. ALA4639581

    Name:
    7,9-dimethyl-6-[1-methylhex-1-enyl]-3,4-dihydroqui
    Show More

    Mol. Formula:
    C18H26N+

    M.W.:
    256.41

    Type:
    Unknown

    AlogP:
    4.60

    Polar Surface Area:
    3.88

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  15. ALA4639412

    Name:
    6-[but-1-enyl]-3,7,9-trimethyl-3,4-dihydroquinoliz
    Show More

    Mol. Formula:
    C16H22N+

    M.W.:
    228.36

    Type:
    Unknown

    AlogP:
    3.68

    Polar Surface Area:
    3.88

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  16. ALA4638695

    Name:
    6-[hexadec-1-enyl]-3,7,9-trimethyl-3,4-dihydroquin
    Show More

    Mol. Formula:
    C28H46N+

    M.W.:
    396.68

    Type:
    Unknown

    AlogP:
    8.36

    Polar Surface Area:
    3.88

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  17. ALA4637857

    Name:
    6-[dodec-1-enyl]-3,7,9-trimethyl-3,4-dihydroquinol
    Show More

    Mol. Formula:
    C24H38N+

    M.W.:
    340.58

    Type:
    Unknown

    AlogP:
    6.80

    Polar Surface Area:
    3.88

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  18. ALA4637761

    Name:
    6-[hex-1-enyl]-3,7,9-trimethyl-1,2,3,4-tetrahydroq
    Show More

    Mol. Formula:
    C18H28N+

    M.W.:
    258.43

    Type:
    Unknown

    AlogP:
    4.38

    Polar Surface Area:
    3.88

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  19. ALA4636743

    Name:
    6-hexyl-3,7,9-trimethyl-3,4-dihydroquinolizin-5-iu
    Show More

    Mol. Formula:
    C18H28N+

    M.W.:
    258.43

    Type:
    Unknown

    AlogP:
    4.38

    Polar Surface Area:
    3.88

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  20. ALA4635762

    Name:
    N-methyl-6-(1,3,7-trimethyl-6,7-dihydroquinolizin-
    Show More

    Mol. Formula:
    C19H29N2O+

    M.W.:
    301.45

    Type:
    Unknown

    AlogP:
    3.10

    Polar Surface Area:
    32.98

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
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