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Compounds

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15 Items

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  1. ALA1222120

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

    Mol. Formula:
    C70H116N12O42S2

    M.W.:
    1861.87

    8  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA1222119

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

    Mol. Formula:
    C70H116N12O40S2

    M.W.:
    1829.88

    6  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA1222118

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

    Mol. Formula:
    C70H118N12O42S2

    M.W.:
    1863.89

    15  activity values

    6   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA1222117

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

    Mol. Formula:
    C74H126N12O40S2

    M.W.:
    1888.00

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA1222116

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

    Mol. Formula:
    C72H122N12O40S2

    M.W.:
    1859.95

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA1222115

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

    Mol. Formula:
    C70H118N12O40S2

    M.W.:
    1831.89

    13  activity values

    6   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA1222114

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

    Mol. Formula:
    C68H114N12O40S2

    M.W.:
    1803.84

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA601309

    Name:
    2-{[26,27,28-tris(carboxymethoxy)pentacyclo[19.3.1.1^{3,7}.1^{9,13}.1^{15,1Show More⌵

    Mol. Formula:
    C36H32O12

    M.W.:
    656.64

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    4.22

    Polar Surface Area:
    186.12

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  9. ALA601308

    Name:
    2-{[5,17,23-tri-tert-butyl-27-(carboxymethoxy)-26,28-dihydroxypentacyclo[19Show More⌵

    Mol. Formula:
    C44H52O8

    M.W.:
    708.89

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    8.59

    Polar Surface Area:
    133.52

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  10. ALA591636

    Name:
    4-[(E)-2-{11,17,23-tris[(E)-2-(4-carboxyphenyl)diazen-1-yl]-25,26,27,28-tetShow More⌵

    Mol. Formula:
    C56H40N8O12

    M.W.:
    1016.98

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA596977

    Name:
    2-{[27-(carboxymethoxy)-26,28-dihydroxy-2,8,14,20-tetrathiapentacyclo[19.3.Show More⌵

    Mol. Formula:
    C28H20O8S4

    M.W.:
    612.73

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    6.94

    Polar Surface Area:
    133.52

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  12. ALA601307

    Name:
    2-{[5,11,17,23-tetra-tert-butyl-27-(1-carboxyethoxy)-26,28-dihydroxy-2,8,14Show More⌵

    Mol. Formula:
    C46H56O8S4

    M.W.:
    865.21

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    12.91

    Polar Surface Area:
    133.52

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  13. ALA591695

    Name:
    2-{[5,11,17,23-tetra-tert-butyl-27-(carboxymethoxy)-26,28-dihydroxy-2,8,14,Show More⌵

    Mol. Formula:
    C44H52O12S4

    M.W.:
    901.16

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    8.19

    Polar Surface Area:
    225.76

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  14. ALA601306

    Name:
    2-{[11,23,26,28-tetra-tert-butyl-17,25,27-tris(carboxymethoxy)pentacyclo[19Show More⌵

    Mol. Formula:
    C52H64O12

    M.W.:
    881.07

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    9.41

    Polar Surface Area:
    186.12

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  15. ALA601101

    Name:
    2-{[5,11,17,23-tetra-tert-butyl-26,27,28-tris(carboxymethoxy)-2,8,14,20-tetShow More⌵

    Mol. Formula:
    C48H56O12S4

    M.W.:
    953.23

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    11.65

    Polar Surface Area:
    186.12

    HBA:
    12

    HBD:
    4

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
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