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  1. ALA4206982

    Name:
    (S)-2-amino-5-hydroxy-4-oxopentanoic acid

    Mol. Formula:
    C5H9NO4

    M.W.:
    147.13

    Type:
    Small molecule

    AlogP:
    -1.65

    Polar Surface Area:
    100.62

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  2. ALA2018822

    Name:
    1-(1H-1,2,4-triazol-1-yl)-2-(2,4-difluorophenyl)-3-[1-(4-methylbenzyl)-1H-1Show More

    Mol. Formula:
    C21H20F2N6O

    M.W.:
    410.43

    Type:
    Small molecule

    AlogP:
    2.64

    Polar Surface Area:
    81.65

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  3. ALA452440

    Name:
    3-(4-deoxy-beta-xylo-hexopyranosyl)-4-hydroxy-6-[2-hydroxy-1,1,5,7,9,11-hexShow More

    Mol. Formula:
    C34H54O8

    M.W.:
    590.80

    Type:
    Small molecule

    AlogP:
    5.61

    Polar Surface Area:
    140.59

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  4. ALA225445

    Name:
    1-O-caprinyl-2-O-linolenoyl-3-O-(beta-D-glucopyranosyl)-rac-glycerol

    Mol. Formula:
    C37H64O10

    M.W.:
    668.91

    Type:
    Small molecule

    AlogP:
    5.99

    Polar Surface Area:
    151.98

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    28

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  5. ALA390840

    Name:
    1-O-caprinyl-2-O-linoleoyl-3-O-(beta-D-glucopyrano-syl)-rac-glycerol

    Mol. Formula:
    C37H66O10

    M.W.:
    670.93

    Type:
    Small molecule

    AlogP:
    6.21

    Polar Surface Area:
    151.98

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    29

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  6. ALA389430

    Name:
    1-O-caprinyl-2-O-oleoyl-3-O-(beta-D-glucopyranosyl)-rac-glycerol

    Mol. Formula:
    C37H68O10

    M.W.:
    672.94

    Type:
    Small molecule

    AlogP:
    6.44

    Polar Surface Area:
    151.98

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    30

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  7. ALA224334

    Name:
    1-O-caprylyl-2-O-linolenoyl-3-O-(beta-D-glucopyranosyl)-rac-glycerol

    Mol. Formula:
    C35H60O10

    M.W.:
    640.86

    Type:
    Small molecule

    AlogP:
    5.21

    Polar Surface Area:
    151.98

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    26

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  8. ALA374827

    Name:
    1-O-caprylyl-2-O-linoleoyl-3-O-(beta-D-glucopyranosyl)-rac-glycerol

    Mol. Formula:
    C35H62O10

    M.W.:
    642.87

    Type:
    Small molecule

    AlogP:
    5.43

    Polar Surface Area:
    151.98

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    27

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  9. ALA389204

    Name:
    1-O-caprylyl-2-O-oleoyl-3-O-(beta-D-glucopyranosyl)-rac-glycerol

    Mol. Formula:
    C35H64O10

    M.W.:
    644.89

    Type:
    Small molecule

    AlogP:
    5.66

    Polar Surface Area:
    151.98

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    28

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  10. ALA224333

    Name:
    1,2-O-dilinolenoyl-3-O-(beta-D-glucopyranosyl)-rac-glycerol

    Mol. Formula:
    C45H74O10

    M.W.:
    775.08

    Type:
    Small molecule

    AlogP:
    8.44

    Polar Surface Area:
    151.98

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    33

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  11. ALA224107

    Name:
    1,2-O-dilinoleoyl-3-O-(beta-D-glucopyranosyl)-rac-glycerol

    Mol. Formula:
    C45H78O10

    M.W.:
    779.11

    Type:
    Small molecule

    AlogP:
    8.88

    Polar Surface Area:
    151.98

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    35

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  12. ALA274481

    Name:
    1,2-O-dioleoyl-3-O-(beta-D-glucopyranosyl)-rac-glycerol

    Mol. Formula:
    C45H82O10

    M.W.:
    783.14

    Type:
    Small molecule

    AlogP:
    9.33

    Polar Surface Area:
    151.98

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    37

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  13. ALA388539

    Name:
    1,2-O-distearoyl-3-O-(beta-D-glucopyranosyl)-rac-glycerol

    Mol. Formula:
    C45H86O10

    M.W.:
    787.17

    Type:
    Small molecule

    AlogP:
    9.78

    Polar Surface Area:
    151.98

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    39

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  14. ALA389178

    Name:
    1,2-O-dimyristoyl-3-O-(beta-D-glucopyranosyl)-racglycerol

    Mol. Formula:
    C37H70O10

    M.W.:
    674.96

    Type:
    Small molecule

    AlogP:
    6.66

    Polar Surface Area:
    151.98

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    31

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  15. ALA388740

    Name:
    1,2-O-dilauroyl-3-O-(beta-D-glucopyranosyl)-rac-glycerol

    Mol. Formula:
    C33H62O10

    M.W.:
    618.85

    Type:
    Small molecule

    AlogP:
    5.10

    Polar Surface Area:
    151.98

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    27

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
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