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  1. ALA4514624

    Name:
    Biselyngbyaside C

    Mol. Formula:
    C33H50O11

    M.W.:
    622.75

    Type:
    Unknown

    AlogP:
    3.24

    Polar Surface Area:
    142.37

    HBA:
    11

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  2. ALA4536029

    Name:
    N-((3-chlorophenyl)(4-((4-(7-chloroquinolin-4-yl)p
    Show More

    Mol. Formula:
    C36H30Cl3N5

    M.W.:
    639.03

    Type:
    Unknown

    AlogP:
    9.27

    Polar Surface Area:
    44.29

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  3. ALA4534285

    Name:
    Thapsigargin

    Mol. Formula:
    C34H50O12

    M.W.:
    650.76

    Type:
    Unknown

    AlogP:
    3.93

    Polar Surface Area:
    171.96

    HBA:
    12

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  4. ALA4531692

    Name:
    (S)-N1-((S)-4-amino-1-((S)-1-((S)-2-((6S,9S,12S,15
    Show More

    Mol. Formula:
    C132H211N35O28

    M.W.:
    2736.36

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA4464895

    Name:
    (2,4-dibromobenzene-1,3,5-triyl)tris(methylene)tri
    Show More

    Mol. Formula:
    C12H19Br5N6S3

    M.W.:
    743.05

    Type:
    Unknown

    AlogP:
    3.59

    Polar Surface Area:
    149.61

    HBA:
    6

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  6. ALA4472084

    Name:
    (2S,3R,4S,5R,6R)-6-(((2R,3S,4S,5R,6S)-6-(2-(3,4-di
    Show More

    Mol. Formula:
    C45H64O17

    M.W.:
    876.99

    Type:
    Unknown

    AlogP:
    5.13

    Polar Surface Area:
    275.50

    HBA:
    17

    HBD:
    9

    #RO5 Violations:
    4

    #Rotatable Bonds:
    23

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  7. ALA4648427

    Name:
    Albanol A

    Cas Number:
    87085-00-5

    Mol. Formula:
    C34H26O8

    M.W.:
    562.57

    Type:
    Unknown

    AlogP:
    7.10

    Polar Surface Area:
    132.75

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  8. ALA4637788

    Name:
    Albanol B

    Mol. Formula:
    C34H22O8

    M.W.:
    558.54

    Type:
    Unknown

    AlogP:
    7.26

    Polar Surface Area:
    132.75

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  9. ALA5268892

    Name:
    Biselyngbyaside D

    Mol. Formula:
    C34H52O11

    M.W.:
    636.78

    Type:
    ---

    AlogP:
    3.63

    Polar Surface Area:
    142.37

    HBA:
    11

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  10. ALA4446290

    Name:
    (5Z,8Z,11Z,14Z)-((2S,3R,4S,5R,6R)-6-(((2R,3S,4S,5R
    Show More

    Mol. Formula:
    C47H60O17

    M.W.:
    896.98

    Type:
    Unknown

    AlogP:
    5.01

    Polar Surface Area:
    275.50

    HBA:
    17

    HBD:
    9

    #RO5 Violations:
    4

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  11. ALA4439663

    Name:
    ((2S,3R,4S,5R,6R)-6-(((2R,3S,4S,5R,6S)-6-(2-(3,4-d
    Show More

    Mol. Formula:
    C45H60O17

    M.W.:
    872.96

    Type:
    Unknown

    AlogP:
    4.68

    Polar Surface Area:
    275.50

    HBA:
    17

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  12. ALA4436782

    Name:
    (S)-N1-((S)-4-amino-1-((S)-1-((S)-2-((6S,9S,19S,22
    Show More

    Mol. Formula:
    C129H213N35O28

    M.W.:
    2702.34

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA3586100

    Name:
    saikosaponin D

    Mol. Formula:
    C42H68O13

    M.W.:
    780.99

    Type:
    Small molecule

    AlogP:
    1.78

    Polar Surface Area:
    207.99

    HBA:
    13

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  14. ALA3586098

    Name:
    esculentin A

    Mol. Formula:
    C24H32O6

    M.W.:
    416.51

    Type:
    Small molecule

    AlogP:
    4.26

    Polar Surface Area:
    78.90

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  15. ALA3586097

    Name:
    (1S,3R,5R,6aS,7R,8R,101S)-7,8-dimethyl-7-(3-methyl
    Show More

    Mol. Formula:
    C26H38O7

    M.W.:
    462.58

    Type:
    Small molecule

    AlogP:
    4.70

    Polar Surface Area:
    88.13

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  16. ALA3586096

    Name:
    casearborin F

    Mol. Formula:
    C33H40O10

    M.W.:
    596.67

    Type:
    Small molecule

    AlogP:
    5.16

    Polar Surface Area:
    134.66

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  17. ALA2332554

    Name:
    (2aS,31R,4S,6S,6aR,7S,8S,9bS)-6-acetoxy-4-(butyryl
    Show More

    Mol. Formula:
    C34H48O11

    M.W.:
    632.75

    Type:
    Small molecule

    AlogP:
    4.97

    Polar Surface Area:
    144.03

    HBA:
    11

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  18. ALA2332553

    Name:
    (2S,3S,3aR,4S,6S,6aR,6bS,9aR,10aS)-4-Acetoxy-6-(bu
    Show More

    Mol. Formula:
    C39H59NO12

    M.W.:
    733.90

    Type:
    Small molecule

    AlogP:
    5.59

    Polar Surface Area:
    165.48

    HBA:
    13

    HBD:
    1

    #RO5 Violations:
    3

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  19. ALA2332552

    Name:
    (2S,3S,3aR,4S,6S,6aR,6bS,9aR,10aS)-4-Acetoxy-6-(bu
    Show More

    Mol. Formula:
    C38H57NO11

    M.W.:
    703.87

    Type:
    Small molecule

    AlogP:
    5.96

    Polar Surface Area:
    156.25

    HBA:
    12

    HBD:
    1

    #RO5 Violations:
    3

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  20. ALA2332551

    Name:
    (2S,3S,3aR,4S,6S,6aR,6bS,9aR,10aS)-4-Acetoxy-6-(bu
    Show More

    Mol. Formula:
    C36H53NO11

    M.W.:
    675.82

    Type:
    Small molecule

    AlogP:
    5.18

    Polar Surface Area:
    156.25

    HBA:
    12

    HBD:
    1

    #RO5 Violations:
    3

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
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