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  1. ALA4514117

    Name:
    Eudesmaafraglaucolide

    Mol. Formula:
    C19H24O7

    M.W.:
    364.39

    Type:
    Unknown

    AlogP:
    1.44

    Polar Surface Area:
    99.13

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  2. ALA4528763

    Name:
    Benwamycin F

    Mol. Formula:
    C20H26O3

    M.W.:
    314.43

    Type:
    Unknown

    AlogP:
    4.00

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  3. ALA4527291

    Name:
    Benwamycin A

    Mol. Formula:
    C17H26O4

    M.W.:
    294.39

    Type:
    Unknown

    AlogP:
    1.67

    Polar Surface Area:
    80.92

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  4. ALA4518431

    Name:
    (+)-Arteglasin A

    Cas Number:
    33204-39-6

    Mol. Formula:
    C17H20O5

    M.W.:
    304.34

    Type:
    Unknown

    AlogP:
    1.91

    Polar Surface Area:
    65.13

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  5. ALA4547130

    Name:
    Benwamycin H

    Mol. Formula:
    C20H28O4

    M.W.:
    332.44

    Type:
    Unknown

    AlogP:
    3.65

    Polar Surface Area:
    63.60

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  6. ALA4589064

    Name:
    Benwamycin D

    Mol. Formula:
    C20H28O5

    M.W.:
    348.44

    Type:
    Unknown

    AlogP:
    2.83

    Polar Surface Area:
    83.83

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  7. ALA4460955

    Name:
    Benwamycin G

    Mol. Formula:
    C20H26O4

    M.W.:
    330.42

    Type:
    Unknown

    AlogP:
    3.19

    Polar Surface Area:
    66.76

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  8. ALA4098029

    Name:
    2-nitro-alpha-desmotroposantonin

    Mol. Formula:
    C15H17NO5

    M.W.:
    291.30

    Type:
    Small molecule

    AlogP:
    2.71

    Polar Surface Area:
    89.67

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  9. ALA4097109

    Name:
    3,6,9-trimethyl-2,3,3a,4,5,9b-hexahydronaphtho[1,2
    Show More

    Mol. Formula:
    C15H20O3

    M.W.:
    248.32

    Type:
    Small molecule

    AlogP:
    2.60

    Polar Surface Area:
    49.69

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.74

    DETAILS
  10. ALA4104415

    Name:
    (R)-2-((R)-7-hydroxy-5,8-dimethyl-1,2,3,4-tetrahyd
    Show More

    Mol. Formula:
    C21H25N3O4

    M.W.:
    383.45

    Type:
    Small molecule

    AlogP:
    4.00

    Polar Surface Area:
    105.36

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  11. ALA4472301

    Name:
    Benwamycin B

    Mol. Formula:
    C17H26O3

    M.W.:
    278.39

    Type:
    Unknown

    AlogP:
    2.48

    Polar Surface Area:
    60.69

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  12. ALA4471601

    Name:
    Benwamycin C

    Mol. Formula:
    C19H26O5

    M.W.:
    334.41

    Type:
    Unknown

    AlogP:
    2.44

    Polar Surface Area:
    83.83

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  13. ALA4092953

    Name:
    (R)-2-((R)-7-hydroxy-5,8-dimethyl-1,2,3,4-tetrahyd
    Show More

    Mol. Formula:
    C19H27NO3

    M.W.:
    317.43

    Type:
    Small molecule

    AlogP:
    2.61

    Polar Surface Area:
    49.77

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  14. ALA4089397

    Name:
    (S)-3,5a,9-[trimethyl-2-oxo-2,4,5,5a,6,7-hexahydro
    Show More

    Cas Number:
    6308-44-7

    Mol. Formula:
    C17H20O4

    M.W.:
    288.34

    Type:
    Small molecule

    AlogP:
    3.54

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  15. ALA4086940

    Name:
    3,6,9-trimethyl-2,3,3a,4,5,9b-hexahydronaphtho[1,2
    Show More

    Mol. Formula:
    C19H24O5

    M.W.:
    332.40

    Type:
    Small molecule

    AlogP:
    3.39

    Polar Surface Area:
    61.83

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  16. ALA4085210

    Name:
    (R)-2-((R)-7-hydroxy-5,8-dimethyl-1,2,3,4-tetrahyd
    Show More

    Mol. Formula:
    C22H27NO3

    M.W.:
    353.46

    Type:
    Small molecule

    AlogP:
    4.40

    Polar Surface Area:
    58.56

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  17. ALA4072193

    Name:
    (R)-2-((R)-7-hydroxy-5,8-dimethyl-1,2,3,4-tetrahyd
    Show More

    Mol. Formula:
    C15H20O3

    M.W.:
    248.32

    Type:
    Small molecule

    AlogP:
    2.83

    Polar Surface Area:
    57.53

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.85

    DETAILS
  18. ALA4063595

    Name:
    (R)-N-(3-hydroxy-4-methylphenyl)-2-((R)-7-hydroxy-
    Show More

    Mol. Formula:
    C22H27NO3

    M.W.:
    353.46

    Type:
    Small molecule

    AlogP:
    4.40

    Polar Surface Area:
    69.56

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  19. ALA4059571

    Name:
    (3S,3aS,5aS)-8-[chloro-3,5a,9-trimethyl-3a,4,5,5a-
    Show More

    Mol. Formula:
    C15H17ClO2

    M.W.:
    264.75

    Type:
    Small molecule

    AlogP:
    3.93

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  20. ALA4081525

    Name:
    2-amino-alpha-desmotroposantonin

    Mol. Formula:
    C15H19NO3

    M.W.:
    261.32

    Type:
    Small molecule

    AlogP:
    2.39

    Polar Surface Area:
    72.55

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
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