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  1. ALA1099162

    Name:
    artobiloxanthone

    Mol. Formula:
    C25H22O7

    M.W.:
    434.44

    Type:
    Small molecule

    AlogP:
    4.68

    Polar Surface Area:
    120.36

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  2. ALA1096733

    Name:
    Artonin O

    Mol. Formula:
    C30H30O7

    M.W.:
    502.56

    Type:
    Small molecule

    AlogP:
    5.54

    Polar Surface Area:
    125.04

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  3. ALA1096732

    Name:
    Artoristilbene

    Mol. Formula:
    C19H16O4

    M.W.:
    308.33

    Type:
    Small molecule

    AlogP:
    4.74

    Polar Surface Area:
    58.92

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  4. ALA1096731

    Name:
    Cyclorigidol

    Cas Number:
    1174017-37-8

    Mol. Formula:
    C30H32O7

    M.W.:
    504.58

    Type:
    Small molecule

    AlogP:
    6.70

    Polar Surface Area:
    120.36

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  5. ALA1096730

    Name:
    Artorigidin C

    Mol. Formula:
    C30H28O7

    M.W.:
    500.55

    Type:
    Small molecule

    AlogP:
    6.45

    Polar Surface Area:
    125.04

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  6. ALA1094757

    Name:
    Artorigidin B

    Mol. Formula:
    C30H32O7

    M.W.:
    504.58

    Type:
    Small molecule

    AlogP:
    6.33

    Polar Surface Area:
    120.36

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  7. ALA1094756

    Name:
    Artorigidin A

    Mol. Formula:
    C30H32O7

    M.W.:
    504.58

    Type:
    Small molecule

    AlogP:
    6.22

    Polar Surface Area:
    131.36

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  8. ALA1603665

    Name:
    SID11111947

    Mol. Formula:
    C22H35NO3

    M.W.:
    361.53

    Type:
    Small molecule

    AlogP:
    4.05

    Polar Surface Area:
    73.58

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  9. ALA4797340

    Name:
    5-((1R,2S,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethy
    Show More

    Mol. Formula:
    C19H34O3

    M.W.:
    310.48

    Type:
    Unknown

    AlogP:
    3.57

    Polar Surface Area:
    57.53

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  10. ALA4779223

    Name:
    (1R,2R,4aS,5R,8aS)-1-(hydroxymethyl)-5-((E)-4-hydr
    Show More

    Mol. Formula:
    C19H32O3

    M.W.:
    308.46

    Type:
    Unknown

    AlogP:
    3.06

    Polar Surface Area:
    60.69

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  11. ALA3929895

    Name:
    US9187397, 9a

    Mol. Formula:
    C28H26O6

    M.W.:
    458.51

    Type:
    Small molecule

    AlogP:
    5.47

    Polar Surface Area:
    96.22

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  12. ALA3892642

    Name:
    US9187397, 1::US9187406, Curcumin::curcumin

    Mol. Formula:
    C21H20O6

    M.W.:
    368.39

    Type:
    Small molecule

    AlogP:
    2.85

    Polar Surface Area:
    104.06

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  13. ALA3426659

    Name:
    (E)-3-(2-((1S,5R,6R,8aR)-6-hydroxy-5-(hydroxymethy
    Show More

    Mol. Formula:
    C19H28O5

    M.W.:
    336.43

    Type:
    Small molecule

    AlogP:
    2.00

    Polar Surface Area:
    83.83

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  14. ALA3426658

    Name:
    (E)-5-(2-((1S,5R,6R,8aR)-6-hydroxy-5-(hydroxymethy
    Show More

    Mol. Formula:
    C18H25NO4S2

    M.W.:
    383.54

    Type:
    Small molecule

    AlogP:
    2.16

    Polar Surface Area:
    86.63

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  15. ALA2373633

    Name:
    SID11111670

    Mol. Formula:
    C36H56O8

    M.W.:
    616.84

    Type:
    Small molecule

    AlogP:
    5.75

    Polar Surface Area:
    130.36

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  16. ALA2373603

    Name:
    SID11110859

    Mol. Formula:
    C16H24O4

    M.W.:
    280.36

    Type:
    Small molecule

    AlogP:
    2.11

    Polar Surface Area:
    66.76

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  17. ALA2322558

    Name:
    DL-2-[3'-(3''-tert-Butyl-5'',9''-dimethyl-7''-oxo-
    Show More

    Mol. Formula:
    C29H31NO6

    M.W.:
    489.57

    Type:
    Small molecule

    AlogP:
    5.20

    Polar Surface Area:
    109.75

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  18. ALA2322557

    Name:
    4-[2'-(3''-tert-Butyl-5'',9''-dimethyl-7''-oxo-7H-
    Show More

    Mol. Formula:
    C23H27NO6

    M.W.:
    413.47

    Type:
    Small molecule

    AlogP:
    3.98

    Polar Surface Area:
    109.75

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  19. ALA2322556

    Name:
    2-(3''-tert-Butyl-5'',9''-dimethyl-7''-oxo-7H-furo
    Show More

    Mol. Formula:
    C26H26ClNO4

    M.W.:
    451.95

    Type:
    Small molecule

    AlogP:
    5.97

    Polar Surface Area:
    72.45

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  20. ALA2322555

    Name:
    4-[2'-(3''-tert-Butyl-5'',9''-dimethyl-7''-oxo-7H-
    Show More

    Mol. Formula:
    C26H25NO6

    M.W.:
    447.49

    Type:
    Small molecule

    AlogP:
    5.33

    Polar Surface Area:
    109.75

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
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