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Compounds

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18 Items

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  1. ALA2203409

    Name:
    Uridine 3'-(4-hydroxytamoxifen phosphate)

    Mol. Formula:
    C35H40N3O10P

    M.W.:
    693.69

    6  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    3.66

    Polar Surface Area:
    172.78

    HBA:
    11

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  2. ALA1223840

    Name:
    (2R,3S,4R)-4-(2,4-dihydroxyphenyl)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triShow More⌵

    Mol. Formula:
    C21H18O8

    M.W.:
    398.37

    2  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    2.55

    Polar Surface Area:
    150.84

    HBA:
    8

    HBD:
    7

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  3. ALA1223839

    Name:
    (2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-(2,4,6-trihydroxyphenyl)chroman-3,5,7-Show More⌵

    Mol. Formula:
    C21H18O9

    M.W.:
    414.37

    2  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    2.25

    Polar Surface Area:
    171.07

    HBA:
    9

    HBD:
    8

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  4. ALA1223838

    Name:
    (2R,3R,4S)-4-(2,4-dihydroxyphenyl)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triShow More⌵

    Mol. Formula:
    C21H18O8

    M.W.:
    398.37

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    2.55

    Polar Surface Area:
    150.84

    HBA:
    8

    HBD:
    7

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  5. ALA1223837

    Name:
    (2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-(2,4,6-trihydroxyphenyl)chroman-3,5,7-Show More⌵

    Mol. Formula:
    C21H18O9

    M.W.:
    414.37

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    2.25

    Polar Surface Area:
    171.07

    HBA:
    9

    HBD:
    8

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  6. ALA593706

    Name:
    2-((2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-Show More⌵

    Mol. Formula:
    C12H15N3O7

    M.W.:
    313.27

    3  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    -2.31

    Polar Surface Area:
    150.72

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  7. ALA593956

    Name:
    4-((2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-Show More⌵

    Mol. Formula:
    C14H19N3O7

    M.W.:
    341.32

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    -1.53

    Polar Surface Area:
    150.72

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  8. ALA593464

    Name:
    3-((2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-Show More⌵

    Mol. Formula:
    C13H17N3O7

    M.W.:
    327.29

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    -1.92

    Polar Surface Area:
    150.72

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  9. ALA471836

    Name:
    3'-[1-(4-ethoxycarbonylpiperdinyl)]-3'-deoxy-ara-uridine

    Mol. Formula:
    C17H25N3O7

    M.W.:
    383.40

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    -1.57

    Polar Surface Area:
    134.09

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  10. ALA469949

    Name:
    3'-[1-(4-carboxylpiperdinyl)]-3'-deoxy-ara-uridine

    Mol. Formula:
    C15H21N3O7

    M.W.:
    355.35

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    -2.05

    Polar Surface Area:
    145.09

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  11. ALA486115

    Name:
    (2R,3R)-3-((1-(2-(6-amino-9H-purin-9-yl)ethyl)-1H-1,2,3-triazol-4-yl)methoxShow More⌵

    Mol. Formula:
    C25H24N8O6

    M.W.:
    532.52

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    1.78

    Polar Surface Area:
    199.71

    HBA:
    14

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  12. ALA485914

    Name:
    (2R,3S)-3-((1-(2-(6-amino-9H-purin-9-yl)ethyl)-1H-1,2,3-triazol-4-yl)methoxShow More⌵

    Mol. Formula:
    C25H24N8O6

    M.W.:
    532.52

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    1.78

    Polar Surface Area:
    199.71

    HBA:
    14

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  13. ALA452125

    Name:
    ethyl 2-(3-(2-(4-(((2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yShow More⌵

    Mol. Formula:
    C29H31N5O10

    M.W.:
    609.59

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    1.26

    Polar Surface Area:
    200.39

    HBA:
    15

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  14. ALA452415

    Name:
    ethyl 2-(3-(2-(4-(((2R,3S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yShow More⌵

    Mol. Formula:
    C29H31N5O10

    M.W.:
    609.59

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    1.26

    Polar Surface Area:
    200.39

    HBA:
    15

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  15. ALA455775

    Name:
    5'-phospho-2'-deoxyuridine 3-pyrophosphate (P'->5') adenosine 3'-phosphate

    Mol. Formula:
    C19H25N7O14P2

    M.W.:
    637.39

    3  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    -2.52

    Polar Surface Area:
    305.92

    HBA:
    18

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  16. ALA408119

    Name:
    (2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2Show More⌵

    Mol. Formula:
    C10H15N2O8P

    M.W.:
    322.21

    3  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    -1.40

    Polar Surface Area:
    151.08

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  17. ALA259808

    Name:
    (2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2Show More⌵

    Mol. Formula:
    C17H18N2O6

    M.W.:
    346.34

    4  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    0.35

    Polar Surface Area:
    110.62

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  18. ALA258728

    Name:
    (2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyShow More⌵

    Mol. Formula:
    C9H14N3O8P

    M.W.:
    323.20

    19  activity values

    7   unique targets

    Type:
    Small molecule

    AlogP:
    -2.45

    Polar Surface Area:
    177.36

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
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