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  1. ALA1099090

    Name:
    Erythribyssin M

    Mol. Formula:
    C20H20O5

    M.W.:
    340.38

    Type:
    Small molecule

    AlogP:
    3.08

    Polar Surface Area:
    68.15

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  2. ALA1099089

    Name:
    Erythribyssin D

    Mol. Formula:
    C20H20O5

    M.W.:
    340.38

    Type:
    Small molecule

    AlogP:
    3.08

    Polar Surface Area:
    68.15

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  3. ALA1095422

    Name:
    erysubin D

    Mol. Formula:
    C25H28O5

    M.W.:
    408.49

    Type:
    Small molecule

    AlogP:
    4.59

    Polar Surface Area:
    68.15

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  4. ALA1096408

    Name:
    Erythribyssin L

    Mol. Formula:
    C25H28O5

    M.W.:
    408.49

    Type:
    Small molecule

    AlogP:
    4.59

    Polar Surface Area:
    68.15

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  5. ALA1096407

    Name:
    calopocarpin

    Cas Number:
    53802-77-0

    Mol. Formula:
    C20H20O4

    M.W.:
    324.38

    Type:
    Small molecule

    AlogP:
    4.22

    Polar Surface Area:
    58.92

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  6. ALA1096406

    Name:
    Erythribyssin O

    Mol. Formula:
    C21H18O5

    M.W.:
    350.37

    Type:
    Small molecule

    AlogP:
    4.72

    Polar Surface Area:
    79.90

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  7. ALA1097045

    Name:
    eryvarin D

    Mol. Formula:
    C21H20O4

    M.W.:
    336.39

    Type:
    Small molecule

    AlogP:
    5.22

    Polar Surface Area:
    51.83

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  8. ALA1098729

    Name:
    isoneorautenol

    Mol. Formula:
    C20H18O4

    M.W.:
    322.36

    Type:
    Small molecule

    AlogP:
    4.19

    Polar Surface Area:
    47.92

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  9. ALA1098413

    Name:
    demethylmedicarpin

    Cas Number:
    61135-91-9

    Mol. Formula:
    C15H12O4

    M.W.:
    256.26

    Type:
    Small molecule

    AlogP:
    2.71

    Polar Surface Area:
    58.92

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  10. ALA4754838

    Name:
    3-Azidopropyl O-(5-acetamido-9-azido-3,5,9-trideox
    Show More

    Mol. Formula:
    C28H45FN8O17

    M.W.:
    784.70

    Type:
    Unknown

    AlogP:
    -4.06

    Polar Surface Area:
    390.01

    HBA:
    18

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  11. ALA4750841

    Name:
    3-Azidopropyl O-(5-acetamido-3,5-dideoxy-D-glycero
    Show More

    Mol. Formula:
    C28H46FN5O18

    M.W.:
    759.69

    Type:
    Unknown

    AlogP:
    -5.38

    Polar Surface Area:
    361.48

    HBA:
    18

    HBD:
    11

    #RO5 Violations:
    3

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  12. ALA4763895

    Name:
    3-Azidopropyl O-(3-deoxy-D-glycero-alpha-D-galacto
    Show More

    Mol. Formula:
    C26H43FN4O18

    M.W.:
    718.64

    Type:
    Unknown

    AlogP:
    -5.52

    Polar Surface Area:
    352.61

    HBA:
    18

    HBD:
    11

    #RO5 Violations:
    3

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  13. ALA4761030

    Name:
    3-Azidopropyl O-(5-acetamido-3,5-dideoxy-D-glycero
    Show More

    Mol. Formula:
    C28H47N5O19

    M.W.:
    757.70

    Type:
    Unknown

    AlogP:
    -6.35

    Polar Surface Area:
    381.71

    HBA:
    19

    HBD:
    12

    #RO5 Violations:
    3

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  14. ALA4778287

    Name:
    3-Azidopropyl O-(5-acetamido-9-fluoro-3,5,9-trideo
    Show More

    Mol. Formula:
    C28H45F2N5O17

    M.W.:
    761.68

    Type:
    Unknown

    AlogP:
    -4.40

    Polar Surface Area:
    341.25

    HBA:
    17

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  15. ALA4778089

    Name:
    3-Azidopropyl O-(5-trifluroacetamido-9-fluoro-3,5-
    Show More

    Mol. Formula:
    C28H43F4N5O18

    M.W.:
    813.66

    Type:
    Unknown

    AlogP:
    -4.84

    Polar Surface Area:
    361.48

    HBA:
    18

    HBD:
    11

    #RO5 Violations:
    3

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.02

    DETAILS
  16. ALA4759224

    Name:
    3-Azidopropyl O-(5-glycolylamido-3,5-dideoxy-D-gly
    Show More

    Mol. Formula:
    C28H46FN5O19

    M.W.:
    775.69

    Type:
    Unknown

    AlogP:
    -6.41

    Polar Surface Area:
    381.71

    HBA:
    19

    HBD:
    12

    #RO5 Violations:
    3

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  17. ALA4289476

    Name:
    (2R,3R,4S)-3-acetamido-2-((1R,2R)-3-(4-((S)-2-amin
    Show More

    Mol. Formula:
    C21H31N7O11

    M.W.:
    557.52

    Type:
    Small molecule

    AlogP:
    -5.06

    Polar Surface Area:
    302.54

    HBA:
    13

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  18. ALA4282280

    Name:
    (2R,3R,4S)-3-acetamido-2-((1R,2R)-3-(4-((S)-2-amin
    Show More

    Mol. Formula:
    C16H23N5O9

    M.W.:
    429.39

    Type:
    Small molecule

    AlogP:
    -3.81

    Polar Surface Area:
    230.35

    HBA:
    11

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  19. ALA4278803

    Name:
    (2R,3R,4S)-3-acetamido-2-((1R,2R)-3-(4-((S)-3-((S)
    Show More

    Mol. Formula:
    C32H50N10O15

    M.W.:
    814.81

    Type:
    Small molecule

    AlogP:
    -6.10

    Polar Surface Area:
    424.06

    HBA:
    17

    HBD:
    13

    #RO5 Violations:
    3

    #Rotatable Bonds:
    25

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  20. ALA4071503

    Name:
    (Z)-2-((2S,4S,5R,6S)-5-acetamido-2-carboxy-4-hydro
    Show More

    Mol. Formula:
    C15H26N4O10

    M.W.:
    422.39

    Type:
    Small molecule

    AlogP:
    -2.96

    Polar Surface Area:
    207.45

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
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