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  1. ALA5280374

    Name:
    1'-(benzylideneamino)-5'-oxo-1',4a,5',9a-tetrahydr
    Show More

    Mol. Formula:
    C24H18N4O

    M.W.:
    378.44

    Type:
    ---

    AlogP:
    3.74

    Polar Surface Area:
    68.49

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  2. ALA5289753

    Name:
    Imbricatin

    Mol. Formula:
    C16H14O4

    M.W.:
    270.28

    Type:
    ---

    AlogP:
    2.76

    Polar Surface Area:
    58.92

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  3. ALA1085176

    Name:
    8-hydroxy-3-methoxy-iso-seco-tanaparatholide

    Mol. Formula:
    C16H20O6

    M.W.:
    308.33

    Type:
    Small molecule

    AlogP:
    0.73

    Polar Surface Area:
    89.90

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  4. ALA1085175

    Name:
    (4R,5S)-5-(3,5-dihydroxy-2-methylcyclopent-1-enyl)
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    Mol. Formula:
    C15H18O5

    M.W.:
    278.30

    Type:
    Small molecule

    AlogP:
    1.10

    Polar Surface Area:
    80.67

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  5. ALA1085174

    Name:
    3-beta-oxy-iso-secotanapartholide

    Mol. Formula:
    C15H18O5

    M.W.:
    278.30

    Type:
    Small molecule

    AlogP:
    1.10

    Polar Surface Area:
    80.67

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  6. ALA1085173

    Name:
    3-beta-methoxy-iso-secotanapartholide

    Mol. Formula:
    C16H20O5

    M.W.:
    292.33

    Type:
    Small molecule

    AlogP:
    1.76

    Polar Surface Area:
    69.67

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  7. ALA4790385

    Name:
    Persicunin E; 13-(11-((3R,5R,10S)-3-hydroxy-4,4,17
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    Mol. Formula:
    C21H30O5

    M.W.:
    362.47

    Type:
    Unknown

    AlogP:
    3.32

    Polar Surface Area:
    72.83

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  8. ALA4757347

    Name:
    3-(3-bromo-4-hydroxybenzoyl)-4-(3-bromo-4-hydroxyp
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    Mol. Formula:
    C27H17Br2NO5

    M.W.:
    595.24

    Type:
    Unknown

    AlogP:
    6.35

    Polar Surface Area:
    88.76

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  9. ALA4756932

    Name:
    Persicunin F; (3R,5S,8S,9R,10S,13S,15S)-3-hydroxy-
    Show More

    Mol. Formula:
    C21H32O6

    M.W.:
    380.48

    Type:
    Unknown

    AlogP:
    2.61

    Polar Surface Area:
    82.06

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  10. ALA5198953

    Name:
    2-(5-(2-hydroxyphenyl)-1-(4-isopropylphenyl)-1H-1,
    Show More

    Mol. Formula:
    C24H20F3N3O2

    M.W.:
    439.44

    Type:
    ---

    AlogP:
    6.15

    Polar Surface Area:
    71.17

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  11. ALA5198799

    Name:
    2-(1-(4-bromophenyl)-5-(2-hydroxyphenyl)-1H-1,2,4-
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    Mol. Formula:
    C21H13BrF3N3O2

    M.W.:
    476.25

    Type:
    ---

    AlogP:
    5.79

    Polar Surface Area:
    71.17

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  12. ALA5198630

    Name:
    Colletotricandin A

    Mol. Formula:
    C25H36O9

    M.W.:
    480.55

    Type:
    ---

    AlogP:
    1.84

    Polar Surface Area:
    156.91

    HBA:
    9

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  13. ALA5196356

    Name:
    2-(5-(2-hydroxyphenyl)-1-(p-tolyl)-1H-1,2,4-triazo
    Show More

    Mol. Formula:
    C22H16F3N3O2

    M.W.:
    411.38

    Type:
    ---

    AlogP:
    5.34

    Polar Surface Area:
    71.17

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  14. ALA5193453

    Name:
    2-(1-(2,4-dimethylphenyl)-5-(2-hydroxyphenyl)-1H-1
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    Mol. Formula:
    C23H18F3N3O2

    M.W.:
    425.41

    Type:
    ---

    AlogP:
    5.65

    Polar Surface Area:
    71.17

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  15. ALA5189198

    Name:
    2-(1-(3,5-difluorophenyl)-5-(2-hydroxyphenyl)-1H-1
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    Mol. Formula:
    C21H12F5N3O2

    M.W.:
    433.34

    Type:
    ---

    AlogP:
    5.31

    Polar Surface Area:
    71.17

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  16. ALA5182915

    Name:
    2-(5-(2-hydroxyphenyl)-1-(3-methoxyphenyl)-1H-1,2,
    Show More

    Mol. Formula:
    C22H16F3N3O3

    M.W.:
    427.38

    Type:
    ---

    AlogP:
    5.04

    Polar Surface Area:
    80.40

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  17. ALA5181011

    Name:
    3-methoxy indole

    Cas Number:
    16712-55-3

    Mol. Formula:
    C9H9NO

    M.W.:
    147.18

    Type:
    ---

    AlogP:
    2.18

    Polar Surface Area:
    25.02

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.66

    DETAILS
  18. ALA5180515

    Name:
    Cladobotrin VI

    Mol. Formula:
    C11H14O5

    M.W.:
    226.23

    Type:
    ---

    AlogP:
    0.45

    Polar Surface Area:
    79.90

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  19. ALA5179075

    Name:
    2-(5-(2-hydroxyphenyl)-1-(4-iodophenyl)-1H-1,2,4-t
    Show More

    Mol. Formula:
    C21H13F3IN3O2

    M.W.:
    523.25

    Type:
    ---

    AlogP:
    5.64

    Polar Surface Area:
    71.17

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  20. ALA5178244

    Name:
    2-(1-(4-ethylphenyl)-5-(2-hydroxyphenyl)-1H-1,2,4-
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    Mol. Formula:
    C23H18F3N3O2

    M.W.:
    425.41

    Type:
    ---

    AlogP:
    5.59

    Polar Surface Area:
    71.17

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
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