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  1. ALA5289972

    Name:
    3-(3,4-dihydroxyphenethyl)-1-(3,4-dihydroxyphenyl)
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    Mol. Formula:
    C25H19NO8

    M.W.:
    461.43

    Type:
    ---

    AlogP:
    3.89

    Polar Surface Area:
    156.52

    HBA:
    9

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  2. ALA3037931

    Name:
    methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-e
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    Mol. Formula:
    C56H68N6O9

    M.W.:
    969.19

    Type:
    Small molecule

    AlogP:
    5.77

    Polar Surface Area:
    166.21

    HBA:
    12

    HBD:
    3

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  3. ALA2441612

    Name:
    methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-e
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    Mol. Formula:
    C51H66N6O9

    M.W.:
    907.12

    Type:
    Small molecule

    AlogP:
    4.80

    Polar Surface Area:
    166.21

    HBA:
    12

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  4. ALA2441611

    Name:
    methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-e
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    Mol. Formula:
    C56H68N6O10

    M.W.:
    985.19

    Type:
    Small molecule

    AlogP:
    5.73

    Polar Surface Area:
    175.44

    HBA:
    13

    HBD:
    3

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  5. ALA2441610

    Name:
    methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-4-[(
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    Mol. Formula:
    C55H66N6O9

    M.W.:
    955.17

    Type:
    Small molecule

    AlogP:
    5.72

    Polar Surface Area:
    166.21

    HBA:
    12

    HBD:
    3

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  6. ALA2441608

    Name:
    methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-e
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    Mol. Formula:
    C58H72N6O9

    M.W.:
    997.25

    Type:
    Small molecule

    AlogP:
    6.59

    Polar Surface Area:
    166.21

    HBA:
    12

    HBD:
    3

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  7. ALA2441607

    Name:
    methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-e
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    Mol. Formula:
    C52H66N6O9

    M.W.:
    919.13

    Type:
    Small molecule

    AlogP:
    4.97

    Polar Surface Area:
    166.21

    HBA:
    12

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  8. ALA2441606

    Name:
    methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-e
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    Mol. Formula:
    C52H69N7O9

    M.W.:
    936.16

    Type:
    Small molecule

    AlogP:
    3.96

    Polar Surface Area:
    169.45

    HBA:
    13

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  9. ALA2441605

    Name:
    methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-e
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    Mol. Formula:
    C51H66N6O9S

    M.W.:
    939.19

    Type:
    Small molecule

    AlogP:
    4.76

    Polar Surface Area:
    166.21

    HBA:
    13

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  10. ALA2314567

    Name:
    methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-e
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    Mol. Formula:
    C49H63FN6O9

    M.W.:
    899.07

    Type:
    Small molecule

    AlogP:
    4.46

    Polar Surface Area:
    175.00

    HBA:
    12

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  11. ALA2314566

    Name:
    methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-e
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    Mol. Formula:
    C50H66N6O9

    M.W.:
    895.11

    Type:
    Small molecule

    AlogP:
    4.66

    Polar Surface Area:
    166.21

    HBA:
    12

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  12. ALA2314565

    Name:
    methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-4-[(
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    Mol. Formula:
    C48H63N5O8

    M.W.:
    838.06

    Type:
    Small molecule

    AlogP:
    4.56

    Polar Surface Area:
    137.11

    HBA:
    12

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  13. ALA2314564

    Name:
    methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-e
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    Mol. Formula:
    C47H61N5O8

    M.W.:
    824.03

    Type:
    Small molecule

    AlogP:
    4.22

    Polar Surface Area:
    145.90

    HBA:
    12

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  14. ALA2314563

    Name:
    methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-4-[(
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    Mol. Formula:
    C49H63N5O10

    M.W.:
    882.07

    Type:
    Small molecule

    AlogP:
    4.70

    Polar Surface Area:
    163.41

    HBA:
    13

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  15. ALA2314562

    Name:
    methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-4-[(
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    Mol. Formula:
    C49H64N6O8S

    M.W.:
    897.15

    Type:
    Small molecule

    AlogP:
    4.43

    Polar Surface Area:
    149.14

    HBA:
    12

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  16. ALA2314560

    Name:
    methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-e
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    Mol. Formula:
    C51H66N6O10

    M.W.:
    923.12

    Type:
    Small molecule

    AlogP:
    4.04

    Polar Surface Area:
    175.44

    HBA:
    13

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  17. ALA2314559

    Name:
    methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-4-[(
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    Mol. Formula:
    C51H68N6O9

    M.W.:
    909.14

    Type:
    Small molecule

    AlogP:
    5.05

    Polar Surface Area:
    166.21

    HBA:
    12

    HBD:
    3

    #RO5 Violations:
    3

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  18. ALA2314557

    Name:
    methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-e
    Show More

    Mol. Formula:
    C55H67FN6O8S

    M.W.:
    991.24

    Type:
    Small molecule

    AlogP:
    5.84

    Polar Surface Area:
    157.93

    HBA:
    12

    HBD:
    4

    #RO5 Violations:
    3

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  19. ALA2314553

    Name:
    methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-e
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    Mol. Formula:
    C52H64N6O10

    M.W.:
    933.12

    Type:
    Small molecule

    AlogP:
    5.09

    Polar Surface Area:
    188.14

    HBA:
    13

    HBD:
    4

    #RO5 Violations:
    3

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  20. ALA2314552

    Name:
    methyl (1R,9R,10S,11R,12R,19R)-11-(acetyloxy)-12-e
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    Mol. Formula:
    C53H65N7O9

    M.W.:
    944.14

    Type:
    Small molecule

    AlogP:
    4.89

    Polar Surface Area:
    187.89

    HBA:
    13

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
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