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  1. ALA4474947

    Name:
    Bipolaricin B

    Mol. Formula:
    C25H36O5

    M.W.:
    416.56

    Type:
    Unknown

    AlogP:
    3.09

    Polar Surface Area:
    86.99

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  2. ALA4517785

    Name:
    Bipolaricin A

    Mol. Formula:
    C25H36O5

    M.W.:
    416.56

    Type:
    Unknown

    AlogP:
    3.09

    Polar Surface Area:
    86.99

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  3. ALA4764386

    Name:
    4-(3-(8-(Benzyloxy)quinoline-2-carboxamido)propoxy
    Show More

    Mol. Formula:
    C28H24N4O7S

    M.W.:
    560.59

    Type:
    Unknown

    AlogP:
    3.47

    Polar Surface Area:
    147.56

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  4. ALA4574086

    Name:
    8-epi-Ophiobolin J

    Mol. Formula:
    C25H36O4

    M.W.:
    400.56

    Type:
    Unknown

    AlogP:
    4.12

    Polar Surface Area:
    66.76

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  5. ALA4464450

    Name:
    Bipolaricin E

    Mol. Formula:
    C25H40O3

    M.W.:
    388.59

    Type:
    Unknown

    AlogP:
    5.02

    Polar Surface Area:
    49.69

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  6. ALA4102806

    Name:
    20-acetoxytaepeenin D

    Mol. Formula:
    C25H30O7

    M.W.:
    442.51

    Type:
    Small molecule

    AlogP:
    4.01

    Polar Surface Area:
    92.04

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  7. ALA4101048

    Name:
    25,27-bis-[N-(2-hydroxyethyl)aminocarbonylmethoxyl
    Show More

    Mol. Formula:
    C36H38N2O8

    M.W.:
    626.71

    Type:
    Small molecule

    AlogP:
    2.75

    Polar Surface Area:
    157.58

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  8. ALA4470987

    Name:
    Ophiobolin J

    Mol. Formula:
    C25H36O4

    M.W.:
    400.56

    Type:
    Unknown

    AlogP:
    4.12

    Polar Surface Area:
    66.76

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  9. ALA4094151

    Name:
    7beta-hydroxyphanginin H

    Mol. Formula:
    C21H28O5

    M.W.:
    360.45

    Type:
    Small molecule

    AlogP:
    3.43

    Polar Surface Area:
    68.90

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  10. ALA4092333

    Name:
    25,27-bis[N,N-di(2-hydroxyethyl)aminocarbonylmetho
    Show More

    Mol. Formula:
    C40H46N2O10

    M.W.:
    714.81

    Type:
    Small molecule

    AlogP:
    2.16

    Polar Surface Area:
    180.46

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  11. ALA4084593

    Name:
    5,11,17,23-tetra-tert-butyl-25,26,27,28-tetra[N-(2
    Show More

    Mol. Formula:
    C60H84N4O12

    M.W.:
    1053.35

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA4472781

    Name:
    Bipolaricin D

    Mol. Formula:
    C25H34O4

    M.W.:
    398.54

    Type:
    Unknown

    AlogP:
    5.10

    Polar Surface Area:
    63.60

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  13. ALA4071552

    Name:
    5,11,17,23,29,35-hexa-tert-butyl-37,38,39,40,41,42
    Show More

    Mol. Formula:
    C90H126N6O18

    M.W.:
    1580.02

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA4062928

    Name:
    5,11,17,23-tetra-tert-butyl-25,27-bis[N,N-di(2-hyd
    Show More

    Mol. Formula:
    C56H78N2O10

    M.W.:
    939.24

    Type:
    Small molecule

    AlogP:
    7.35

    Polar Surface Area:
    180.46

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  15. ALA4061963

    Name:
    3beta-hydroxyphanginin H

    Mol. Formula:
    C21H28O5

    M.W.:
    360.45

    Type:
    Small molecule

    AlogP:
    3.43

    Polar Surface Area:
    68.90

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  16. ALA4079068

    Name:
    5,11,17,23,29,35-hexa-tert-butyl-37,38,39,40,41,42
    Show More

    Mol. Formula:
    C102H150N6O24

    M.W.:
    1844.34

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  17. ALA4064915

    Name:
    4-epi-3beta-hydroxycaesalpinilinn

    Mol. Formula:
    C21H26O6

    M.W.:
    374.43

    Type:
    Small molecule

    AlogP:
    2.96

    Polar Surface Area:
    85.97

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  18. ALA4074300

    Name:
    5,11,17,23-tetra-tert-butyl-25,27-bis[N-(2-hydroxy
    Show More

    Mol. Formula:
    C52H70N2O8

    M.W.:
    851.14

    Type:
    Small molecule

    AlogP:
    7.94

    Polar Surface Area:
    157.58

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  19. ALA4080147

    Name:
    37,38,39,40,41,42-hexa[N-(2-hydroxyethyl)aminocarb
    Show More

    Mol. Formula:
    C66H78N6O18

    M.W.:
    1243.37

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  20. ALA4079488

    Name:
    Caesalpinista B

    Mol. Formula:
    C23H32O6

    M.W.:
    404.50

    Type:
    Small molecule

    AlogP:
    3.47

    Polar Surface Area:
    85.97

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
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