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  1. ALA4874925

    Name:
    (2E)-1-(5-Hydroxy-7-methoxy-2-methyl-2-(4-methylpe
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    Mol. Formula:
    C26H28O5

    M.W.:
    420.51

    Type:
    Unknown

    AlogP:
    5.91

    Polar Surface Area:
    75.99

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  2. ALA4868903

    Name:
    6-Prenylnaringenin C

    Cas Number:
    170900-13-7

    Mol. Formula:
    C20H18O5

    M.W.:
    338.36

    Type:
    Unknown

    AlogP:
    3.99

    Polar Surface Area:
    75.99

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  3. ALA4865912

    Name:
    (2E)-1-(5-Hydroxy-7-methoxy-2,2-dimethyl-2H-chrome
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    Mol. Formula:
    C22H22O5

    M.W.:
    366.41

    Type:
    Unknown

    AlogP:
    4.49

    Polar Surface Area:
    64.99

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  4. ALA4862947

    Name:
    (2E)-3-(Benzo[d][1,3]dioxol-6-yl)-1-(5-hydroxy-7-m
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    Mol. Formula:
    C22H20O6

    M.W.:
    380.40

    Type:
    Unknown

    AlogP:
    4.21

    Polar Surface Area:
    74.22

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  5. ALA1094366

    Name:
    (-)-(S)-1',6,6',7,7'-Hexahydroxy-3,3'-dimethyl-N5-
    Show More

    Mol. Formula:
    C42H40N2O8

    M.W.:
    700.79

    Type:
    Small molecule

    AlogP:
    7.58

    Polar Surface Area:
    179.58

    HBA:
    8

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  6. ALA4861182

    Name:
    Isoxanthohumol C

    Mol. Formula:
    C21H20O5

    M.W.:
    352.39

    Type:
    Unknown

    AlogP:
    4.29

    Polar Surface Area:
    64.99

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  7. ALA5197144

    Name:
    Necrosulfonamide

    Mol. Formula:
    C18H15N5O4S2

    M.W.:
    429.48

    Type:
    ---

    AlogP:
    4.23

    Polar Surface Area:
    119.28

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  8. Type:
    ---

    AlogP:
    5.25

    Polar Surface Area:
    95.50

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  9. ALA4852770

    Name:
    8-Prenylnaringenin C

    Mol. Formula:
    C20H18O5

    M.W.:
    338.36

    Type:
    Unknown

    AlogP:
    3.99

    Polar Surface Area:
    75.99

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  10. ALA4531011

    Name:
    2-(3-Benzyl-4-oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]
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    Cas Number:
    853136-76-2

    Mol. Formula:
    C28H31N5O3S2

    M.W.:
    549.72

    Type:
    Unknown

    AlogP:
    4.49

    Polar Surface Area:
    93.26

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  11. ALA4437830

    Name:
    2-(3-Benzyl-4-oxo-3,4,5,6,7,8-hexahydro-benzo[4,5]
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    Mol. Formula:
    C29H32N4O3S2

    M.W.:
    548.73

    Type:
    Unknown

    AlogP:
    5.98

    Polar Surface Area:
    90.02

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  12. ALA4174370

    Name:
    4-(3-(6-(Cyclopropanecarbonyl)-2,6-diazaspiro[3.4]
    Show More

    Mol. Formula:
    C26H25FN4O3

    M.W.:
    460.51

    Type:
    Small molecule

    AlogP:
    2.74

    Polar Surface Area:
    86.37

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  13. ALA4173393

    Name:
    4-(3-(6-(Cyclopropanecarbonyl)-2,6-diazaspiro[3.3]
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    Mol. Formula:
    C25H23FN4O3

    M.W.:
    446.48

    Type:
    Small molecule

    AlogP:
    2.35

    Polar Surface Area:
    86.37

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  14. ALA4173312

    Name:
    4-(4-Fluoro-3-(2,7-diazaspiro[4.4]nonane-2-carbony
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    Mol. Formula:
    C23H23FN4O2

    M.W.:
    406.46

    Type:
    Small molecule

    AlogP:
    2.48

    Polar Surface Area:
    78.09

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  15. ALA4171907

    Name:
    Microcionamide D

    Mol. Formula:
    C45H73N7O7S2

    M.W.:
    888.25

    Type:
    Small molecule

    AlogP:
    4.94

    Polar Surface Area:
    203.70

    HBA:
    9

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  16. ALA4170291

    Name:
    4-(4-Fluoro-3-(2,8-diazaspiro[4.5]decane-2-carbony
    Show More

    Mol. Formula:
    C24H25FN4O2

    M.W.:
    420.49

    Type:
    Small molecule

    AlogP:
    2.87

    Polar Surface Area:
    78.09

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  17. ALA4169555

    Name:
    4-(4-Fluoro-3-(2-oxa-6-azaspiro[3.3]heptane-6-carb
    Show More

    Mol. Formula:
    C21H18FN3O3

    M.W.:
    379.39

    Type:
    Small molecule

    AlogP:
    2.13

    Polar Surface Area:
    75.29

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  18. ALA4167820

    Name:
    4-(4-Fluoro-3-(2,7-diazaspiro[3.5]nonane-2-carbony
    Show More

    Mol. Formula:
    C23H23FN4O2

    M.W.:
    406.46

    Type:
    Small molecule

    AlogP:
    2.48

    Polar Surface Area:
    78.09

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  19. ALA4166463

    Name:
    4-(4-Fluoro-3-(2,6-diazaspiro[3.4]octane-6-carbony
    Show More

    Mol. Formula:
    C22H21FN4O2

    M.W.:
    392.43

    Type:
    Small molecule

    AlogP:
    2.09

    Polar Surface Area:
    78.09

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  20. ALA4166130

    Name:
    4-(4-Fluoro-3-(2,6-diazaspiro[3.3]heptane-2-carbon
    Show More

    Mol. Formula:
    C21H19FN4O2

    M.W.:
    378.41

    Type:
    Small molecule

    AlogP:
    1.70

    Polar Surface Area:
    78.09

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
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