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11 Items

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  1. ALA4540311

    Name:
    3-beta hydroxy pelenolide

    Mol. Formula:
    C15H24O3

    M.W.:
    252.35

    Type:
    Unknown

    AlogP:
    2.68

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.53

    DETAILS
  2. ALA4535452

    Name:
    3-Betahydroxy dihydro costunolide acetate

    Mol. Formula:
    C17H24O4

    M.W.:
    292.38

    Type:
    Unknown

    AlogP:
    3.17

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  3. ALA4544657

    Name:
    3-keto dihydro costunolide

    Mol. Formula:
    C15H20O3

    M.W.:
    248.32

    Type:
    Unknown

    AlogP:
    2.81

    Polar Surface Area:
    43.37

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.49

    DETAILS
  4. ALA4564347

    Name:
    Dihydro costunolide

    Mol. Formula:
    C15H22O2

    M.W.:
    234.34

    Type:
    Unknown

    AlogP:
    3.63

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  5. ALA4647301

    Name:
    Absinthin

    Cas Number:
    1362-42-1

    Mol. Formula:
    C30H40O6

    M.W.:
    496.64

    Type:
    Unknown

    AlogP:
    3.80

    Polar Surface Area:
    93.06

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  6. ALA4646849

    Name:
    Methyl 12-anabsinthinate

    Mol. Formula:
    C31H42O6

    M.W.:
    510.67

    Type:
    Unknown

    AlogP:
    4.60

    Polar Surface Area:
    82.06

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  7. ALA4646364

    Name:
    11-nor-12-azidocarbonylaminoanabsinthin

    Mol. Formula:
    C30H40N4O5

    M.W.:
    536.67

    Type:
    Unknown

    AlogP:
    5.20

    Polar Surface Area:
    133.62

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  8. ALA4642192

    Name:
    phenylethyl 12-anabsinthinate

    Mol. Formula:
    C38H48O6

    M.W.:
    600.80

    Type:
    Unknown

    AlogP:
    6.21

    Polar Surface Area:
    82.06

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  9. ALA4454982

    Name:
    3-Keto dihydro costunolide

    Mol. Formula:
    C15H20O3

    M.W.:
    248.32

    Type:
    Unknown

    AlogP:
    2.81

    Polar Surface Area:
    43.37

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.49

    DETAILS
  10. ALA4446651

    Name:
    3-beta-hydroxy dihydro costunolide acetate

    Mol. Formula:
    C17H24O4

    M.W.:
    292.38

    Type:
    Unknown

    AlogP:
    3.17

    Polar Surface Area:
    52.60

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  11. ALA4435198

    Name:
    Costunolide

    Mol. Formula:
    C15H20O2

    M.W.:
    232.32

    Type:
    Unknown

    AlogP:
    3.55

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
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