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  1. ALA5287969

    Name:
    1-(((3R,5aS,6R,8aS,9R,12S,12aR)-3,6,9-trimethyldec
    Show More

    Mol. Formula:
    C33H52O11

    M.W.:
    624.77

    Type:
    ---

    AlogP:
    4.80

    Polar Surface Area:
    112.53

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  2. ALA1095375

    Name:
    5,6,7,8-Tetrahydroimidazo[1,2-a]pyridine-2-carboxy
    Show More

    Mol. Formula:
    C16H16N4O3

    M.W.:
    312.33

    Type:
    Small molecule

    AlogP:
    1.71

    Polar Surface Area:
    77.74

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  3. ALA1088249

    Name:
    5,6,7,8-Tetrahydroimidazo[1,2-a]pyridine-2-carboxy
    Show More

    Mol. Formula:
    C18H22N4O

    M.W.:
    310.40

    Type:
    Small molecule

    AlogP:
    3.11

    Polar Surface Area:
    59.28

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  4. ALA1088119

    Name:
    5,6,7,8-Tetrahydroimidazo[1,2-a]pyridine-2-carboxy
    Show More

    Mol. Formula:
    C16H18N4O

    M.W.:
    282.35

    Type:
    Small molecule

    AlogP:
    2.29

    Polar Surface Area:
    59.28

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  5. ALA1088644

    Name:
    5,6,7,8-Tetrahydroimidazo[1,2-a]pyridine-2-carboxy
    Show More

    Mol. Formula:
    C17H21N5O

    M.W.:
    311.39

    Type:
    Small molecule

    AlogP:
    2.05

    Polar Surface Area:
    62.52

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  6. ALA2299081

    Name:
    N-Benzyl-2-[(3-phenyl-2-oxo-2H-[1,2,4]triazino[2,3
    Show More

    Mol. Formula:
    C25H19N5O2S

    M.W.:
    453.53

    Type:
    Small molecule

    AlogP:
    3.71

    Polar Surface Area:
    89.25

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  7. ALA2298880

    Name:
    N-(4-Methylbenzyl)-2-[(3-phenyl-2-oxo-2H-[1,2,4]tr
    Show More

    Mol. Formula:
    C26H21N5O2S

    M.W.:
    467.55

    Type:
    Small molecule

    AlogP:
    4.02

    Polar Surface Area:
    89.25

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  8. ALA4776690

    Name:
    Frugosidal

    Mol. Formula:
    C29H42O10

    M.W.:
    550.65

    Type:
    Unknown

    AlogP:
    0.61

    Polar Surface Area:
    162.98

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  9. ALA4525219

    Name:
    12'-episatratoxin H

    Mol. Formula:
    C29H36O9

    M.W.:
    528.60

    Type:
    Unknown

    AlogP:
    2.07

    Polar Surface Area:
    124.05

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  10. ALA4797949

    Name:
    Glucofrugoside

    Mol. Formula:
    C35H54O14

    M.W.:
    698.80

    Type:
    Unknown

    AlogP:
    -0.75

    Polar Surface Area:
    225.06

    HBA:
    14

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  11. ALA4786013

    Name:
    2-((2S,5R,8S,11S)-11-(3-guanidinopropyl)-5-(4-hydr
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    Mol. Formula:
    C32H45N9O9

    M.W.:
    699.77

    Type:
    Unknown

    AlogP:
    -2.56

    Polar Surface Area:
    294.03

    HBA:
    9

    HBD:
    11

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  12. ALA4781168

    Name:
    Frugoside

    Mol. Formula:
    C29H44O9

    M.W.:
    536.66

    Type:
    Unknown

    AlogP:
    1.43

    Polar Surface Area:
    145.91

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  13. ALA4540831

    Name:
    Trichoverritone

    Mol. Formula:
    C35H46O11

    M.W.:
    642.74

    Type:
    Unknown

    AlogP:
    3.19

    Polar Surface Area:
    150.35

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  14. ALA4094198

    Name:
    2-(4-fluorophenylamino)-7,8-dihydropteridin-6(5H)-
    Show More

    Mol. Formula:
    C12H10FN5O

    M.W.:
    259.24

    Type:
    Small molecule

    AlogP:
    1.72

    Polar Surface Area:
    78.94

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  15. ALA4093586

    Name:
    8-methyl-2-(3,4,5-trimethoxyphenylamino)-7,8-dihyd
    Show More

    Mol. Formula:
    C16H19N5O4

    M.W.:
    345.36

    Type:
    Small molecule

    AlogP:
    1.63

    Polar Surface Area:
    97.84

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  16. ALA4089832

    Name:
    2-(4-methoxyphenylamino)-7,8-dihydropteridin-6(5H)
    Show More

    Mol. Formula:
    C13H13N5O2

    M.W.:
    271.28

    Type:
    Small molecule

    AlogP:
    1.59

    Polar Surface Area:
    88.17

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  17. ALA4524286

    Name:
    Satratoxin H

    Mol. Formula:
    C29H36O9

    M.W.:
    528.60

    Type:
    Unknown

    AlogP:
    2.07

    Polar Surface Area:
    124.05

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  18. ALA4089218

    Name:
    8-methyl-2-(phenethylamino)-7,8-dihydropteridin-6(
    Show More

    Mol. Formula:
    C15H17N5O

    M.W.:
    283.33

    Type:
    Small molecule

    AlogP:
    1.52

    Polar Surface Area:
    70.15

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  19. ALA4743046

    Name:
    Calotoxin

    Mol. Formula:
    C29H40O10

    M.W.:
    548.63

    Type:
    Unknown

    AlogP:
    0.97

    Polar Surface Area:
    151.98

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  20. ALA4082388

    Name:
    2-(4-chlorophenylamino)-8-methyl-7,8-dihydropterid
    Show More

    Mol. Formula:
    C13H12ClN5O

    M.W.:
    289.73

    Type:
    Small molecule

    AlogP:
    2.26

    Polar Surface Area:
    70.15

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
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