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  1. ALA5267586

    Name:
    Epicalyxin B

    Mol. Formula:
    C35H34O8

    M.W.:
    582.65

    Type:
    ---

    AlogP:
    6.19

    Polar Surface Area:
    147.68

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  2. ALA5266779

    Name:
    Alsmaphorazine A

    Mol. Formula:
    C20H20N2O6

    M.W.:
    384.39

    Type:
    ---

    AlogP:
    0.76

    Polar Surface Area:
    108.66

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  3. ALA5266646

    Name:
    6-Hydroxycalyxin F

    Mol. Formula:
    C35H34O9

    M.W.:
    598.65

    Type:
    ---

    AlogP:
    5.73

    Polar Surface Area:
    156.91

    HBA:
    9

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  4. ALA5266479

    Name:
    Calyxin D

    Mol. Formula:
    C35H32O8

    M.W.:
    580.63

    Type:
    ---

    AlogP:
    6.36

    Polar Surface Area:
    140.59

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  5. ALA5279017

    Name:
    Blepharocalyxin A

    Mol. Formula:
    C54H54O11

    M.W.:
    879.02

    Type:
    ---

    AlogP:
    10.00

    Polar Surface Area:
    197.37

    HBA:
    11

    HBD:
    8

    #RO5 Violations:
    4

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  6. ALA5278961

    Name:
    Calyxin A

    Mol. Formula:
    C35H34O9

    M.W.:
    598.65

    Type:
    ---

    AlogP:
    6.69

    Polar Surface Area:
    156.91

    HBA:
    9

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  7. ALA5278243

    Name:
    Calyxin B

    Mol. Formula:
    C35H34O8

    M.W.:
    582.65

    Type:
    ---

    AlogP:
    6.19

    Polar Surface Area:
    147.68

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  8. ALA5276524

    Name:
    Calyxin E

    Mol. Formula:
    C35H32O8

    M.W.:
    580.63

    Type:
    ---

    AlogP:
    6.36

    Polar Surface Area:
    140.59

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  9. ALA5268948

    Name:
    Calyxin C

    Mol. Formula:
    C35H32O8

    M.W.:
    580.63

    Type:
    ---

    AlogP:
    6.36

    Polar Surface Area:
    140.59

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  10. ALA5268069

    Name:
    Blepharocalyxin B

    Mol. Formula:
    C54H54O11

    M.W.:
    879.02

    Type:
    ---

    AlogP:
    10.00

    Polar Surface Area:
    197.37

    HBA:
    11

    HBD:
    8

    #RO5 Violations:
    4

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  11. ALA4649622

    Name:
    Orthosiphol B

    Mol. Formula:
    C38H44O11

    M.W.:
    676.76

    Type:
    Unknown

    AlogP:
    4.24

    Polar Surface Area:
    162.73

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  12. ALA4649192

    Name:
    Orthosiphol D

    Mol. Formula:
    C29H34O8

    M.W.:
    510.58

    Type:
    Unknown

    AlogP:
    3.73

    Polar Surface Area:
    127.20

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  13. ALA4637506

    Name:
    Orthosiphol A

    Mol. Formula:
    C38H44O11

    M.W.:
    676.76

    Type:
    Unknown

    AlogP:
    4.24

    Polar Surface Area:
    162.73

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  14. ALA4175160

    Name:
    Bistinospinoside A

    Mol. Formula:
    C52H64O22

    M.W.:
    1041.06

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA4164529

    Name:
    Bistinospinoside B

    Mol. Formula:
    C52H64O22

    M.W.:
    1041.06

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA1782588

    Name:
    14-deoxyxyloccensin K

    Mol. Formula:
    C27H34O7

    M.W.:
    470.56

    Type:
    Small molecule

    AlogP:
    4.25

    Polar Surface Area:
    92.04

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  17. ALA1782587

    Name:
    Chisomicine C

    Mol. Formula:
    C32H40O10

    M.W.:
    584.66

    Type:
    Small molecule

    AlogP:
    3.77

    Polar Surface Area:
    141.73

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  18. ALA1782586

    Name:
    Chisomicine B

    Mol. Formula:
    C32H40O9

    M.W.:
    568.66

    Type:
    Small molecule

    AlogP:
    4.29

    Polar Surface Area:
    124.80

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  19. ALA1782585

    Name:
    Chisomicine A

    Mol. Formula:
    C32H38O8

    M.W.:
    550.65

    Type:
    Small molecule

    AlogP:
    5.59

    Polar Surface Area:
    109.11

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  20. Cearoin

    Name:
    cearoin

    Mol. Formula:
    C14H12O4

    M.W.:
    244.25

    Type:
    Small molecule

    AlogP:
    2.34

    Polar Surface Area:
    66.76

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
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