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  1. ALA4514631

    Name:
    Ethyl 2-((3-(5-allyl-2-methoxyphenyl)isoxazol-5-yl
    Show More

    Mol. Formula:
    C18H21NO5

    M.W.:
    331.37

    Type:
    Unknown

    AlogP:
    3.16

    Polar Surface Area:
    70.79

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  2. ALA4476765

    Name:
    Monbarbatain A

    Cas Number:
    138711-55-4

    Mol. Formula:
    C30H22O6

    M.W.:
    478.50

    Type:
    Unknown

    AlogP:
    6.81

    Polar Surface Area:
    99.38

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  3. ALA4476753

    Name:
    3-(3,5-Bis(trifluoromethyl)benzyl)-5-phenyl-1-oxa-
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    Mol. Formula:
    C24H17F6NO3

    M.W.:
    481.39

    Type:
    Unknown

    AlogP:
    5.34

    Polar Surface Area:
    46.61

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  4. ALA4476683

    Name:
    (aS)-4,8,4',8'-tetramethoxy-(1,1'-biphenanthrene)-
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    Mol. Formula:
    C32H26O8

    M.W.:
    538.55

    Type:
    Unknown

    AlogP:
    6.82

    Polar Surface Area:
    117.84

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  5. ALA4476174

    Name:
    Polycycloiridal N

    Mol. Formula:
    C30H44O5

    M.W.:
    484.68

    Type:
    Unknown

    AlogP:
    5.43

    Polar Surface Area:
    75.99

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  6. ALA4475333

    Name:
    5-((Allyloxy)methyl)-3-(5-bromo-2-methoxyphenyl)is
    Show More

    Mol. Formula:
    C14H14BrNO3

    M.W.:
    324.17

    Type:
    Unknown

    AlogP:
    3.82

    Polar Surface Area:
    44.49

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  7. ALA4475260

    Name:
    ent-3-oxokaurane-16alpha,17-diol

    Mol. Formula:
    C20H32O3

    M.W.:
    320.47

    Type:
    Unknown

    AlogP:
    3.32

    Polar Surface Area:
    57.53

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  8. ALA4540075

    Name:
    3,12-diacetyl-7-hydroxy-8-methoxyingol

    Mol. Formula:
    C25H36O8

    M.W.:
    464.56

    Type:
    Unknown

    AlogP:
    2.21

    Polar Surface Area:
    111.66

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  9. ALA4539185

    Name:
    Antiquorpene H

    Mol. Formula:
    C23H36O5

    M.W.:
    392.54

    Type:
    Unknown

    AlogP:
    3.25

    Polar Surface Area:
    83.83

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  10. ALA4539021

    Name:
    4-propyl-2-(1-propyl-1H-pyrazol-3-yl)phenol

    Mol. Formula:
    C15H20N2O

    M.W.:
    244.34

    Type:
    Unknown

    AlogP:
    3.62

    Polar Surface Area:
    38.05

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  11. ALA4537867

    Name:
    Antiquorpene A

    Mol. Formula:
    C20H30O2

    M.W.:
    302.46

    Type:
    Unknown

    AlogP:
    4.13

    Polar Surface Area:
    37.30

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  12. ALA4525287

    Name:
    3-(4-Bromobenzyl)-5-phenyl-1-oxa-5-azaspiro[5.5]un
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    Mol. Formula:
    C22H18BrNO3

    M.W.:
    424.29

    Type:
    Unknown

    AlogP:
    4.06

    Polar Surface Area:
    46.61

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  13. ALA4524445

    Name:
    6-methoxy-2-(6-(6-methoxy-1H-benzo[d]imidazol-2-yl
    Show More

    Mol. Formula:
    C23H22N4O2

    M.W.:
    386.46

    Type:
    Unknown

    AlogP:
    4.20

    Polar Surface Area:
    63.27

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  14. ALA4522358

    Name:
    3-((3aR,5aS,6R,7R,9aR)-7-hydroxy-6-(hydroxymethyl)
    Show More

    Mol. Formula:
    C20H30O5

    M.W.:
    350.46

    Type:
    Unknown

    AlogP:
    2.20

    Polar Surface Area:
    75.99

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  15. ALA4522104

    Name:
    6-methoxy-2-(3-(6-methoxy-1H-benzo[d]imidazol-2-yl
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    Mol. Formula:
    C24H23N3O2

    M.W.:
    385.47

    Type:
    Unknown

    AlogP:
    4.81

    Polar Surface Area:
    50.38

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  16. ALA4520625

    Name:
    (4R,5R,8S,9R,10R,12S,16S)-ent-16alpha,17-Dihydroxy
    Show More

    Mol. Formula:
    C19H30O3

    M.W.:
    306.45

    Type:
    Unknown

    AlogP:
    2.93

    Polar Surface Area:
    57.53

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  17. ALA4535258

    Name:
    Antiquorpene F

    Mol. Formula:
    C24H34O5

    M.W.:
    402.53

    Type:
    Unknown

    AlogP:
    3.63

    Polar Surface Area:
    80.67

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  18. ALA4535194

    Name:
    5-Phenyl-1-oxa-5-azaspiro[5.5]undeca-7,10-diene-4,
    Show More

    Mol. Formula:
    C15H13NO3

    M.W.:
    255.27

    Type:
    Unknown

    AlogP:
    1.83

    Polar Surface Area:
    46.61

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.77

    DETAILS
  19. ALA4534305

    Name:
    Antiquorpene G

    Mol. Formula:
    C25H34O5

    M.W.:
    414.54

    Type:
    Unknown

    AlogP:
    3.79

    Polar Surface Area:
    80.67

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  20. ALA4533772

    Name:
    3-(2-((4-isothiocyanatobutyl)thio)acetamido)phenyl
    Show More

    Mol. Formula:
    C17H23N3O3S2

    M.W.:
    381.52

    Type:
    Unknown

    AlogP:
    3.69

    Polar Surface Area:
    71.00

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
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