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  1. ALA4474489

    Name:
    N-((2S,3R)-3-Hydroxy-1-oxo-1-(dodecylamino)butan-2
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    Mol. Formula:
    C23H38N2O3

    M.W.:
    390.57

    Type:
    Unknown

    AlogP:
    4.20

    Polar Surface Area:
    78.43

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  2. ALA4540487

    Name:
    6-(3-(1,4,7-Triazonan-1-yl)propoxy)-N-(3-chlorophe
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    Mol. Formula:
    C24H31ClN6O2

    M.W.:
    471.01

    Type:
    Unknown

    AlogP:
    3.30

    Polar Surface Area:
    83.57

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  3. ALA4522240

    Name:
    6-(3-(1,4,7,10-Tetraazacyclododecan-1-yl)propoxy)-
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    Mol. Formula:
    C33H41ClFN7O3

    M.W.:
    638.19

    Type:
    Unknown

    AlogP:
    4.61

    Polar Surface Area:
    104.83

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  4. ALA4534611

    Name:
    6-(3-(1,4,7,10-Tetraazacyclododecan-1-yl)propoxy)-
    Show More

    Mol. Formula:
    C26H35ClFN7O2

    M.W.:
    532.06

    Type:
    Unknown

    AlogP:
    3.03

    Polar Surface Area:
    95.60

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  5. ALA4534431

    Name:
    Sparticolin E

    Mol. Formula:
    C19H16O5

    M.W.:
    324.33

    Type:
    Unknown

    AlogP:
    3.13

    Polar Surface Area:
    64.99

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  6. ALA4533210

    Name:
    (2S,3R)-2-Amino-3-hydroxy-N-tetradecylbutanamide

    Mol. Formula:
    C18H38N2O2

    M.W.:
    314.51

    Type:
    Unknown

    AlogP:
    3.51

    Polar Surface Area:
    75.35

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  7. ALA4559045

    Name:
    N-((2S,3R)-3-Hydroxy-1-oxo-1-(tetradecylamino)buta
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    Mol. Formula:
    C25H42N2O3

    M.W.:
    418.62

    Type:
    Unknown

    AlogP:
    4.98

    Polar Surface Area:
    78.43

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  8. ALA4558497

    Name:
    Sparticolin G

    Mol. Formula:
    C19H12O5

    M.W.:
    320.30

    Type:
    Unknown

    AlogP:
    2.69

    Polar Surface Area:
    61.83

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  9. ALA4552623

    Name:
    6-[2-(Diethylamino)ethyl]-8,9-dimethoxypyrido[30,2
    Show More

    Mol. Formula:
    C22H25N3O3S

    M.W.:
    411.53

    Type:
    Unknown

    AlogP:
    4.12

    Polar Surface Area:
    56.59

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  10. ALA4551931

    Name:
    Sparticolin D; 4-((2S*,4S*)-2,4-dihydroxyspiro[cyc
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    Mol. Formula:
    C19H16O6

    M.W.:
    340.33

    Type:
    Unknown

    AlogP:
    2.00

    Polar Surface Area:
    96.22

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  11. ALA4570313

    Name:
    11-[2-(Dimethylamino)ethyl]-2,3-dimethoxybenzothio
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    Mol. Formula:
    C21H22N2O3S

    M.W.:
    382.49

    Type:
    Unknown

    AlogP:
    3.95

    Polar Surface Area:
    43.70

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  12. ALA4568842

    Name:
    11-[2-(Diethylamino)ethyl]-7-chloro-2,3-dimethoxyb
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    Mol. Formula:
    C23H25ClN2O3S

    M.W.:
    444.98

    Type:
    Unknown

    AlogP:
    5.38

    Polar Surface Area:
    43.70

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  13. ALA4530492

    Name:
    Sparticolin F

    Mol. Formula:
    C20H18O5

    M.W.:
    338.36

    Type:
    Unknown

    AlogP:
    3.21

    Polar Surface Area:
    53.99

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  14. ALA4530144

    Name:
    (2S,3R)-2-Amino-3-hydroxy-N-octadecylbutanamide

    Mol. Formula:
    C22H46N2O2

    M.W.:
    370.62

    Type:
    Unknown

    AlogP:
    5.07

    Polar Surface Area:
    75.35

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  15. ALA4528182

    Name:
    6-(3-(1,4,7,10-Tetraazacyclododecan-1-yl)propoxy)-
    Show More

    Mol. Formula:
    C26H36IN7O2

    M.W.:
    605.53

    Type:
    Unknown

    AlogP:
    2.84

    Polar Surface Area:
    95.60

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  16. ALA4526963

    Name:
    11-[2-(Dimethylamino)ethyl]-7-chloro-2,3-dimethoxy
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    Mol. Formula:
    C21H21ClN2O3S

    M.W.:
    416.93

    Type:
    Unknown

    AlogP:
    4.60

    Polar Surface Area:
    43.70

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  17. ALA4526336

    Name:
    N-((2S,3R)-3-Hydroxy-1-oxo-1-(octadecylamino)butan
    Show More

    Mol. Formula:
    C29H50N2O3

    M.W.:
    474.73

    Type:
    Unknown

    AlogP:
    6.54

    Polar Surface Area:
    78.43

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  18. ALA4517649

    Name:
    6-[2-(Diethylamino)ethyl]-pyrido[30,2':5,6]thiopyr
    Show More

    Mol. Formula:
    C20H21N3OS

    M.W.:
    351.48

    Type:
    Unknown

    AlogP:
    4.11

    Polar Surface Area:
    38.13

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  19. ALA4549221

    Name:
    6-(3-(1,4,7-Triazonan-1-yl)propoxy)-N-(2,4-dichlor
    Show More

    Mol. Formula:
    C24H30Cl2N6O2

    M.W.:
    505.45

    Type:
    Unknown

    AlogP:
    3.95

    Polar Surface Area:
    83.57

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  20. ALA4549107

    Name:
    11-[2-(Diethylamino)ethyl]-3,7-dichlorobenzothiopy
    Show More

    Mol. Formula:
    C21H20Cl2N2OS

    M.W.:
    419.38

    Type:
    Unknown

    AlogP:
    6.02

    Polar Surface Area:
    25.24

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
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