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  1. ALA2333940

    Name:
    cedryl acetate

    Mol. Formula:
    C17H28O2

    M.W.:
    264.41

    Type:
    Small molecule

    AlogP:
    4.18

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  2. ALA2333939

    Name:
    2alpha,10beta-dihydroxycedryl acetate

    Mol. Formula:
    C17H28O4

    M.W.:
    296.41

    Type:
    Small molecule

    AlogP:
    2.27

    Polar Surface Area:
    66.76

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  3. ALA2333938

    Name:
    3alpha,10beta-dihydroxycedryl acetate

    Mol. Formula:
    C17H28O4

    M.W.:
    296.41

    Type:
    Small molecule

    AlogP:
    2.12

    Polar Surface Area:
    66.76

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  4. ALA2238167

    Name:
    N-Dihydrosinapoyl serotonin

    Mol. Formula:
    C21H24N2O5

    M.W.:
    384.43

    Type:
    Small molecule

    AlogP:
    2.89

    Polar Surface Area:
    103.81

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  5. ALA2238166

    Name:
    N-Dihydroferuloyl serotonin

    Mol. Formula:
    C20H22N2O4

    M.W.:
    354.41

    Type:
    Small molecule

    AlogP:
    2.88

    Polar Surface Area:
    94.58

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  6. ALA2238165

    Name:
    N-dihydrocaffeoyl serotonin

    Mol. Formula:
    C19H20N2O4

    M.W.:
    340.38

    Type:
    Small molecule

    AlogP:
    2.58

    Polar Surface Area:
    105.58

    HBA:
    4

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  7. ALA2238164

    Name:
    N-Dihydro-p-coumaroylserotonin

    Mol. Formula:
    C19H20N2O3

    M.W.:
    324.38

    Type:
    Small molecule

    AlogP:
    2.87

    Polar Surface Area:
    85.35

    HBA:
    3

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  8. ALA2234055

    Name:
    N-Dihydrocinnamoyl serotonin

    Mol. Formula:
    C19H20N2O2

    M.W.:
    308.38

    Type:
    Small molecule

    AlogP:
    3.17

    Polar Surface Area:
    65.12

    HBA:
    2

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  9. ALA2235447

    Name:
    7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-en-2-yl)chroman-4-Show More

    Mol. Formula:
    C21H22O5

    M.W.:
    354.40

    Type:
    Small molecule

    AlogP:
    4.63

    Polar Surface Area:
    75.99

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  10. ALA2235446

    Name:
    7-hydroxy-2-(2-hydroxy-4-methoxyphenyl)-5-methoxy-8-(5-methyl-2-(prop-1-en-Show More

    Mol. Formula:
    C27H32O6

    M.W.:
    452.55

    Type:
    Small molecule

    AlogP:
    5.91

    Polar Surface Area:
    85.22

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  11. ALA2235445

    Name:
    1,3,8-trihydroxy-9-(3-methylbut-2-enyl)-7-(3-methylbut-2-enyloxy)-4-(2-methShow More

    Mol. Formula:
    C30H32O7

    M.W.:
    504.58

    Type:
    Small molecule

    AlogP:
    7.13

    Polar Surface Area:
    113.27

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  12. ALA2235444

    Name:
    8-(1,1-Dimethyl-allyl)-9,11-dihydroxy-3,3-dimethyl-5-(3-methyl-but-2-enyloxShow More

    Mol. Formula:
    C30H30O7

    M.W.:
    502.56

    Type:
    Small molecule

    AlogP:
    7.10

    Polar Surface Area:
    102.27

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  13. ALA2235443

    Name:
    (3S,4S,5S,6R)-2-(5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-3-yloxShow More

    Mol. Formula:
    C21H22O12

    M.W.:
    466.40

    Type:
    Small molecule

    AlogP:
    -0.67

    Polar Surface Area:
    209.76

    HBA:
    12

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  14. ALA2235442

    Name:
    (3S,4S,5S,6R)-2-(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-3-yloxy)-Show More

    Mol. Formula:
    C21H22O11

    M.W.:
    450.40

    Type:
    Small molecule

    AlogP:
    -0.37

    Polar Surface Area:
    189.53

    HBA:
    11

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  15. ALA2235441

    Name:
    4-(but-2-enyl)-5-(7-hydroxy-6-(2-methylbut-3-en-2-yl)chroman-2-yl)-3-(3-metShow More

    Mol. Formula:
    C29H36O4

    M.W.:
    448.60

    Type:
    Small molecule

    AlogP:
    6.96

    Polar Surface Area:
    69.92

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  16. ALA2235440

    Name:
    2',2'-dimethyl-7'-(3-methylbut-2-enyl)-2,6'-bichroman-7,8'-diol

    Mol. Formula:
    C25H28O4

    M.W.:
    392.50

    Type:
    Small molecule

    AlogP:
    5.86

    Polar Surface Area:
    58.92

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  17. ALA2235108

    Name:
    4-(7-hydroxychroman-2-yl)-3,6-bis(3-methylbut-2-enyl)benzene-1,2-diol

    Mol. Formula:
    C25H30O4

    M.W.:
    394.51

    Type:
    Small molecule

    AlogP:
    5.89

    Polar Surface Area:
    69.92

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  18. ALA2235107

    Name:
    3-(3,4-dihydroxyphenyl)-1-(7-hydroxy-2,2-dimethyl-2H-chromen-6-yl)prop-2-enShow More

    Mol. Formula:
    C20H18O5

    M.W.:
    338.36

    Type:
    Small molecule

    AlogP:
    3.88

    Polar Surface Area:
    86.99

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  19. ALA492424

    Name:
    5,7-dihydroxy-2-(2-hydroxyphenyl)-8-(5-methyl-2-(prop-1-en-2-yl)hex-4-enyl)Show More

    Mol. Formula:
    C25H28O5

    M.W.:
    408.49

    Type:
    Small molecule

    AlogP:
    5.60

    Polar Surface Area:
    86.99

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  20. ALA492827

    Name:
    2-(2,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-8-(5-methyl-2-(prop-1-en-2-yl)hShow More

    Mol. Formula:
    C26H30O6

    M.W.:
    438.52

    Type:
    Small molecule

    AlogP:
    5.61

    Polar Surface Area:
    96.22

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
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