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  1. ALA5092812

    Name:
    (R)-2-(4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2Show More

    Mol. Formula:
    C28H30N8O2

    M.W.:
    510.60

    Type:
    Unknown

    AlogP:
    4.37

    Polar Surface Area:
    133.13

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  2. ALA5089076

    Name:
    (R)-2-(4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2Show More

    Mol. Formula:
    C30H34N8O3

    M.W.:
    554.66

    Type:
    Unknown

    AlogP:
    4.77

    Polar Surface Area:
    142.36

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  3. ALA5086559

    Name:
    (R)-2-(4-((8-cyclopentyl-5,7-dimethyl-6-oxo-5,6,7,8-tetrahydropteridin-2-ylShow More

    Mol. Formula:
    C29H32N8O3

    M.W.:
    540.63

    Type:
    Unknown

    AlogP:
    4.01

    Polar Surface Area:
    133.57

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  4. ALA5085883

    Name:
    (R)-2-(4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2Show More

    Mol. Formula:
    C30H34N8O3

    M.W.:
    554.66

    Type:
    Unknown

    AlogP:
    4.30

    Polar Surface Area:
    142.36

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  5. ALA5085356

    Name:
    (R)-2-(4-(8-cyclopentyl-5,7-dimethyl-6-oxo-5,6,7,8-tetrahydropteridin-2-ylaShow More

    Mol. Formula:
    C28H30N8O3

    M.W.:
    526.60

    Type:
    Unknown

    AlogP:
    3.98

    Polar Surface Area:
    142.36

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  6. ALA5083420

    Name:
    (R)-2-(4-(7-ethyl-5-methyl-8-((5-methylthiophen-2-yl)methyl)-6-oxo-5,6,7,8-Show More

    Mol. Formula:
    C30H30N8O3S

    M.W.:
    582.69

    Type:
    Unknown

    AlogP:
    5.00

    Polar Surface Area:
    142.36

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  7. ALA5076077

    Name:
    (R)-2-(4-(8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2Show More

    Mol. Formula:
    C29H32N8O3

    M.W.:
    540.63

    Type:
    Unknown

    AlogP:
    4.38

    Polar Surface Area:
    142.36

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  8. ALA4764386

    Name:
    4-(3-(8-(Benzyloxy)quinoline-2-carboxamido)propoxy)-3-(phenylsulfonyl)-1,2,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
  9. 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
  10. ALA4563685

    Name:
    Bipolaricin F

    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:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  11. 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
  12. 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
  13. 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
  14. 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
  15. 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
  16. ALA4454927

    Name:
    Bipolaricin C

    Mol. Formula:
    C25H34O4

    M.W.:
    398.54

    Type:
    Unknown

    AlogP:
    4.19

    Polar Surface Area:
    63.60

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  17. ALA4446247

    Name:
    Bipolaricin I

    Mol. Formula:
    C25H34O5

    M.W.:
    414.54

    Type:
    Unknown

    AlogP:
    4.21

    Polar Surface Area:
    83.83

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  18. ALA4441895

    Name:
    Bipolaricin H

    Mol. Formula:
    C25H36O3

    M.W.:
    384.56

    Type:
    Unknown

    AlogP:
    5.01

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  19. ALA4435129

    Name:
    Bipolaricin G

    Mol. Formula:
    C25H36O3

    M.W.:
    384.56

    Type:
    Unknown

    AlogP:
    5.01

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  20. ALA4175271

    Name:
    (3aR,5aR,8S,9R,11bR)-8-hydroxy-3a,9,11b-trimethyl-9-vinyl-3a,4,5,5a,8,9,10,Show More

    Mol. Formula:
    C20H26O5

    M.W.:
    346.42

    Type:
    Small molecule

    AlogP:
    2.53

    Polar Surface Area:
    72.83

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
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