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Compounds

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19 Items

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  1. ALA4776007

    Name:
    sodium (S)-((2S,3R,4S)-3-acetamido-4-hydroxy-2-phenoxy-3,4-dihydro-2H-pyranShow More⌵

    Mol. Formula:
    C23H27N4Na3O15P2

    M.W.:
    730.40

    1  activity values

    1   unique targets

    Type:
    Unknown

    AlogP:
    -1.73

    Polar Surface Area:
    291.68

    HBA:
    15

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  2. ALA2303865

    Name:
    N-[4-Hydroxy-6-(methanesulfonylamino-methyl)-2-methoxy-5-(3,4,5-trihydroxy-Show More⌵

    Mol. Formula:
    C16H30N2O12S

    M.W.:
    474.49

    6  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    -5.04

    Polar Surface Area:
    213.34

    HBA:
    12

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  3. ALA2303864

    Name:
    N-[6-Aminomethyl-4-hydroxy-2-methoxy-5-(3,4,5-trihydroxy-6-hydroxymethyl-teShow More⌵

    Mol. Formula:
    C15H28N2O10

    M.W.:
    396.39

    6  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    -4.63

    Polar Surface Area:
    193.19

    HBA:
    11

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  4. ALA2303863

    Name:
    Methanesulfonic acid 5-acetylamino-4-hydroxy-6-methoxy-3-(3,4,5-trihydroxy-Show More⌵

    Mol. Formula:
    C16H29NO13S

    M.W.:
    475.47

    6  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    -4.62

    Polar Surface Area:
    210.54

    HBA:
    13

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  5. ALA2303862

    Name:
    N-[5-(4,5-Dihydroxy-6-hydroxymethyl-3-methoxy-tetrahydro-pyran-2-yloxy)-4-hShow More⌵

    Mol. Formula:
    C17H31NO11

    M.W.:
    425.43

    6  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    -3.29

    Polar Surface Area:
    165.40

    HBA:
    11

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  6. ALA2303861

    Name:
    5-Acetylamino-4-hydroxy-6-methoxy-3-(3,4,5-trihydroxy-6-hydroxymethyl-tetraShow More⌵

    Mol. Formula:
    C16H28N2O11

    M.W.:
    424.40

    6  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    -4.85

    Polar Surface Area:
    196.27

    HBA:
    11

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  7. ALA2303860

    Name:
    N-[4-Hydroxy-6-hydroxymethyl-2-methoxy-5-(3,4,5-trihydroxy-6-hydroxymethyl-Show More⌵

    Mol. Formula:
    C15H27NO11

    M.W.:
    397.38

    6  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    -4.60

    Polar Surface Area:
    187.40

    HBA:
    11

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  8. ALA2303859

    Name:
    N-[4-Hydroxy-2-methoxy-6-methoxymethyl-5-(3,4,5-trihydroxy-6-hydroxymethyl-Show More⌵

    Mol. Formula:
    C16H29NO11

    M.W.:
    411.40

    6  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    -3.95

    Polar Surface Area:
    176.40

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  9. ALA2303858

    Name:
    N-[5-(4,5-Dihydroxy-6-hydroxymethyl-3-methoxy-tetrahydro-pyran-2-yloxy)-4-hShow More⌵

    Mol. Formula:
    C16H29NO11

    M.W.:
    411.40

    6  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    -3.95

    Polar Surface Area:
    176.40

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  10. ALA2303857

    Name:
    N-[6-(Acetylamino-methyl)-4-hydroxy-2-methoxy-5-(3,4,5-trihydroxy-6-hydroxyShow More⌵

    Mol. Formula:
    C17H30N2O11

    M.W.:
    438.43

    6  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    -4.46

    Polar Surface Area:
    196.27

    HBA:
    11

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  11. ALA2303856

    Name:
    5-Acetylamino-4-hydroxy-6-methoxy-3-(3,4,5-trihydroxy-6-hydroxymethyl-tetraShow More⌵

    Mol. Formula:
    C15H26N2O11

    M.W.:
    410.38

    6  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    -5.11

    Polar Surface Area:
    210.26

    HBA:
    11

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  12. ALA2303855

    Name:
    N-[5-(4,5-Dihydroxy-6-hydroxymethyl-3-methoxy-tetrahydro-pyran-2-yloxy)-6-fShow More⌵

    Mol. Formula:
    C17H30N2O11

    M.W.:
    438.43

    6  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    -4.19

    Polar Surface Area:
    185.27

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  13. ALA2303854

    Name:
    N-[6-Formylaminomethyl-4-hydroxy-2-methoxy-5-(3,4,5-trihydroxy-6-hydroxymetShow More⌵

    Mol. Formula:
    C16H28N2O11

    M.W.:
    424.40

    6  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    -4.85

    Polar Surface Area:
    196.27

    HBA:
    11

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  14. ALA2303853

    Name:
    5-Acetylamino-4-hydroxy-6-methoxy-3-(3,4,5-trihydroxy-6-hydroxymethyl-tetraShow More⌵

    Mol. Formula:
    C16H27NO12

    M.W.:
    425.39

    6  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    -4.42

    Polar Surface Area:
    193.47

    HBA:
    12

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  15. ALA608035

    Name:
    5-Acetylamino-2-{[5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahyShow More⌵

    Mol. Formula:
    C27H35N8O17P

    M.W.:
    774.59

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    -3.19

    Polar Surface Area:
    400.77

    HBA:
    19

    HBD:
    11

    #RO5 Violations:
    3

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  16. ALA608034

    Name:
    2-{[5-(4-Amino-2-oxo-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahydro-furan-2-ylShow More⌵

    Mol. Formula:
    C27H35N8O17P

    M.W.:
    774.59

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    -3.92

    Polar Surface Area:
    400.77

    HBA:
    19

    HBD:
    11

    #RO5 Violations:
    3

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  17. ALA608032

    Name:
    5-Acetylamino-2-{[5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahyShow More⌵

    Mol. Formula:
    C34H40N5O17P

    M.W.:
    821.69

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    -2.60

    Polar Surface Area:
    348.85

    HBA:
    18

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  18. ALA607743

    Name:
    5-(2-Amino-acetylamino)-2-{[5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-3,4-dihydroShow More⌵

    Mol. Formula:
    C20H32N5O16P

    M.W.:
    629.47

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    -6.33

    Polar Surface Area:
    348.93

    HBA:
    18

    HBD:
    11

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  19. ALA611865

    Name:
    5-Acetylamino-2-{[5-(4-amino-2-oxo-2H-pyrimidin-1-yl)-3,4-dihydroxy-tetrahyShow More⌵

    Mol. Formula:
    C27H35N8O16P

    M.W.:
    758.59

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    -2.89

    Polar Surface Area:
    380.54

    HBA:
    18

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
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