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Compounds

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  1. ALA4583249

    Name:
    (2S,4S,5R,6R)-5-acetamido-2-((2S,3R,4S,5S,6R)-2-((2R,4R,5R,6R)-5-acetamido-Show More⌵

    Mol. Formula:
    C31H53N5O19

    M.W.:
    799.78

    3  activity values

    3   unique targets

    Type:
    Unknown

    AlogP:
    -5.18

    Polar Surface Area:
    381.71

    HBA:
    19

    HBD:
    12

    #RO5 Violations:
    3

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.02

    DETAILS
  2. ALA4483422

    Name:
    (2S,4S,5R,6R)-5-acetamido-6-((1R,2R)-2-((2S,4S,5R,6R)-5-acetamido-2-carboxyShow More⌵

    Mol. Formula:
    C53H87N7O35

    M.W.:
    1382.29

    1  activity values

    1   unique targets

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA4471029

    Name:
    (2S,4S,5R,6R)-5-acetamido-2-((2S,3R,4S,5S,6R)-2-((2R,4R,5R,6R)-6-(6-azidoheShow More⌵

    Mol. Formula:
    C29H50N4O19

    M.W.:
    758.73

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    -5.33

    Polar Surface Area:
    372.84

    HBA:
    19

    HBD:
    12

    #RO5 Violations:
    3

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  4. ALA4469685

    Name:
    (2S,4S,5R,6R)-5-acetamido-6-((1R,2R)-2-((2S,4S,5R,6R)-5-acetamido-2-carboxyShow More⌵

    Mol. Formula:
    C51H84N6O35

    M.W.:
    1341.24

    1  activity values

    1   unique targets

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA4463736

    Name:
    (2S,4S,5R,6R)-5-acetamido-6-((1R,2R)-2-((2S,4S,5R,6R)-5-acetamido-2-carboxyShow More⌵

    Mol. Formula:
    C56H93N7O37

    M.W.:
    1456.37

    1  activity values

    1   unique targets

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA4104803

    Name:
    sodium (4S,5R,6R)-5-acetamido-6-((1R,2R)-1,2-dihydroxy-3-(2-oxo-2-(phenylamShow More⌵

    Mol. Formula:
    C20H26N3NaO10

    M.W.:
    491.43

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    -2.46

    Polar Surface Area:
    203.75

    HBA:
    9

    HBD:
    7

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  7. ALA4103960

    Name:
    Sodium (3-(4-(biphen-4-yl)-1H-1,2,3-triazol-1-yl)propyl) 5-acetamido-3,5,9-Show More⌵

    Mol. Formula:
    C30H35N6NaO10

    M.W.:
    662.63

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    -1.22

    Polar Surface Area:
    248.45

    HBA:
    12

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  8. ALA4101862

    Name:
    Sodium (methyl 5-acetamido-9-cyclohexylacetamido-3,5,9-trideoxy-D-glycero-aShow More⌵

    Mol. Formula:
    C20H33N2NaO9

    M.W.:
    468.48

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    -1.12

    Polar Surface Area:
    174.65

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  9. ALA4099971

    Name:
    Sodium (methyl 5-acetamido-3,5,9-trideoxy-9-(napht-1-yl-acetamido)-D-glycerShow More⌵

    Mol. Formula:
    C24H29N2NaO9

    M.W.:
    512.49

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    -0.70

    Polar Surface Area:
    174.65

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  10. ALA4099380

    Name:
    3-(4-(Biphen-4-yl)-1H-1,2,3-triazol-1-yl)propyl 5-acetamido-9-amino-3,5,9-tShow More⌵

    Mol. Formula:
    C28H34N5NaO8

    M.W.:
    591.60

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    0.13

    Polar Surface Area:
    202.28

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  11. ALA4099130

    Name:
    Sodium (3-(4-(biphen-4-yl)-1H-1,2,3-triazol-1-yl)propyl) 5-acetamido-3,5,9-Show More⌵

    Mol. Formula:
    C28H35N6NaO10S

    M.W.:
    670.68

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    -1.03

    Polar Surface Area:
    248.45

    HBA:
    12

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  12. ALA4096201

    Name:
    Sodium (3-(4-(biphen-4-yl)-1H-1,2,3-triazol-1-yl)propyl) 5-acetamido-3,5,9-Show More⌵

    Mol. Formula:
    C30H38N5NaO10S

    M.W.:
    683.72

    5  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    0.12

    Polar Surface Area:
    222.43

    HBA:
    12

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  13. ALA4094130

    Name:
    Sodium (3-(4-(biphen-4-yl)-1H-1,2,3-triazol-1-yl)propyl) 5-acetamido-3,5-diShow More⌵

    Mol. Formula:
    C28H33N4NaO9

    M.W.:
    592.58

    2  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    0.17

    Polar Surface Area:
    196.49

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  14. ALA4092833

    Name:
    Sodium (3-(4-(biphen-4-yl)-1H-1,2,3-triazol-1-yl)propyl) 5-acetamido-9-butyShow More⌵

    Mol. Formula:
    C32H42N5NaO10S

    M.W.:
    711.77

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    0.90

    Polar Surface Area:
    222.43

    HBA:
    12

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  15. ALA4092220

    Name:
    Sodium (methyl 5-acetamido-3,5,9-trideoxy-9-(4-phenylbenzamido)-D-glycero-aShow More⌵

    Mol. Formula:
    C25H29N2NaO9

    M.W.:
    524.50

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    -0.11

    Polar Surface Area:
    174.65

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  16. ALA4091639

    Name:
    3-(4-(biphen-4-yl)-1H-1,2,3-triazol-1-yl)propyl 5-acetamido-3,5,9-trideoxy-Show More⌵

    Mol. Formula:
    C31H40N5NaO8

    M.W.:
    633.68

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    1.18

    Polar Surface Area:
    188.29

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  17. ALA4090734

    Name:
    3-(4-(biphen-4-yl)-1H-1,2,3-triazol-1-yl)propyl 5-acetamido-9-benzylamino-3Show More⌵

    Mol. Formula:
    C35H40N5NaO8

    M.W.:
    681.72

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    1.97

    Polar Surface Area:
    188.29

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  18. ALA4090479

    Name:
    Sodium (3-(4-(biphen-4-yl)-1H-1,2,3-triazol-1-yl)propyl) 5-acetamido-9-dansShow More⌵

    Mol. Formula:
    C40H45N6NaO10S

    M.W.:
    824.89

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    2.37

    Polar Surface Area:
    225.67

    HBA:
    13

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  19. ALA4088481

    Name:
    Disodium (3-(4-(biphen-4-yl)-1H-1,2,3-triazol-1-yl)propyl) 5-acetamido-3,5,Show More⌵

    Mol. Formula:
    C28H33N5Na2O11S

    M.W.:
    693.64

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    -0.43

    Polar Surface Area:
    242.66

    HBA:
    12

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  20. ALA4087582

    Name:
    Sodium (3-(4-(biphen-4-yl)-1H-1,2,3-triazol-1-yl)propyl) 5-acetamido-3,5,9-Show More⌵

    Mol. Formula:
    C36H40N5NaO9

    M.W.:
    709.73

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    1.53

    Polar Surface Area:
    205.36

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
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