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  1. ALA4514393

    Name:
    (R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthal
    Show More

    Mol. Formula:
    C27H23ClO7

    M.W.:
    494.93

    Type:
    Unknown

    AlogP:
    5.07

    Polar Surface Area:
    117.97

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  2. ALA4476289

    Name:
    (E)-6-(Nitrooxy)hexyl 3-[3-methoxy-4-((((5-(4-(2-(
    Show More

    Mol. Formula:
    C36H40N4O12S

    M.W.:
    752.80

    Type:
    Unknown

    AlogP:
    5.71

    Polar Surface Area:
    186.17

    HBA:
    15

    HBD:
    ---

    #RO5 Violations:
    3

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  3. ALA4475703

    Name:
    3beta-Hydroxy-23-O-[N,N-bis(2-chloroethyl)aminoben
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    Mol. Formula:
    C41H59Cl2NO5

    M.W.:
    716.83

    Type:
    Unknown

    AlogP:
    9.21

    Polar Surface Area:
    87.07

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  4. ALA4474687

    Name:
    6'-methoxy-5H-spiro[benzo[h]tetrazolo[5,1-b]quinaz
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    Mol. Formula:
    C20H12N6O4

    M.W.:
    400.35

    Type:
    Unknown

    AlogP:
    1.58

    Polar Surface Area:
    124.82

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  5. ALA4474159

    Name:
    7'-(trifluoromethyl)-5H-spiro[benzo[h]tetrazolo[5,
    Show More

    Mol. Formula:
    C20H9F3N6O3

    M.W.:
    438.33

    Type:
    Unknown

    AlogP:
    2.59

    Polar Surface Area:
    115.59

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  6. ALA4539643

    Name:
    3beta-Hydroxy-23-O-(3-chlorobenzoyl)-lup-20(29)-en
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    Mol. Formula:
    C37H51ClO5

    M.W.:
    611.26

    Type:
    Unknown

    AlogP:
    8.58

    Polar Surface Area:
    83.83

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  7. ALA4537501

    Name:
    7'-chloro-5H-spiro[benzo[h]tetrazolo[5,1-b]quinazo
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    Mol. Formula:
    C19H9ClN6O3

    M.W.:
    404.77

    Type:
    Unknown

    AlogP:
    2.22

    Polar Surface Area:
    115.59

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  8. ALA4519860

    Name:
    (R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthal
    Show More

    Mol. Formula:
    C26H21BrO7

    M.W.:
    525.35

    Type:
    Unknown

    AlogP:
    4.87

    Polar Surface Area:
    117.97

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  9. ALA4533309

    Name:
    6'-chloro-5H-spiro[benzo[h]tetrazolo[5,1-b]quinazo
    Show More

    Mol. Formula:
    C19H9ClN6O3

    M.W.:
    404.77

    Type:
    Unknown

    AlogP:
    2.22

    Polar Surface Area:
    115.59

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  10. ALA4532480

    Name:
    3beta-Hydroxy-23-O-benzoyl-lup-20(29)-en-28-oic ac
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    Mol. Formula:
    C37H52O5

    M.W.:
    576.82

    Type:
    Unknown

    AlogP:
    7.93

    Polar Surface Area:
    83.83

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  11. ALA4531734

    Name:
    (E)-2-Methoxy-4-[3-(3-(nitrooxy)propoxy)-3-oxoprop
    Show More

    Mol. Formula:
    C36H38N4O13S

    M.W.:
    766.78

    Type:
    Unknown

    AlogP:
    4.25

    Polar Surface Area:
    203.24

    HBA:
    16

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  12. ALA4557993

    Name:
    (R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthal
    Show More

    Mol. Formula:
    C27H24O7

    M.W.:
    460.48

    Type:
    Unknown

    AlogP:
    4.42

    Polar Surface Area:
    117.97

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  13. ALA4557294

    Name:
    Strepantibin B

    Mol. Formula:
    C21H17NO2

    M.W.:
    315.37

    Type:
    Unknown

    AlogP:
    4.27

    Polar Surface Area:
    38.66

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  14. ALA4557044

    Name:
    (E)-2-Methoxy-4-[3-(5-(nitrooxy)pentoxy)-3-oxoprop
    Show More

    Mol. Formula:
    C38H42N4O13S

    M.W.:
    794.84

    Type:
    Unknown

    AlogP:
    5.03

    Polar Surface Area:
    203.24

    HBA:
    16

    HBD:
    ---

    #RO5 Violations:
    3

    #Rotatable Bonds:
    23

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  15. ALA4553504

    Name:
    (R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthal
    Show More

    Mol. Formula:
    C27H23FO7

    M.W.:
    478.47

    Type:
    Unknown

    AlogP:
    4.56

    Polar Surface Area:
    117.97

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  16. ALA4571687

    Name:
    (R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthal
    Show More

    Mol. Formula:
    C27H23FO7

    M.W.:
    478.47

    Type:
    Unknown

    AlogP:
    4.56

    Polar Surface Area:
    117.97

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  17. ALA4529521

    Name:
    (R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthal
    Show More

    Mol. Formula:
    C28H26O7

    M.W.:
    474.51

    Type:
    Unknown

    AlogP:
    4.67

    Polar Surface Area:
    117.97

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  18. ALA4518919

    Name:
    (R)-1-(5,8-Dihydroxy-1,4-dioxo-1,4-dihydronaphthal
    Show More

    Mol. Formula:
    C28H26O7

    M.W.:
    474.51

    Type:
    Unknown

    AlogP:
    4.73

    Polar Surface Area:
    117.97

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  19. ALA4516934

    Name:
    3beta-Hydroxy-23-O-cyclohexylformyl-lup-20(29)-en-
    Show More

    Mol. Formula:
    C37H58O5

    M.W.:
    582.87

    Type:
    Unknown

    AlogP:
    8.19

    Polar Surface Area:
    83.83

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  20. ALA4546709

    Name:
    3beta-Hydroxy-23-O-(4-trifluoromethylbenzoyl)-lup-
    Show More

    Mol. Formula:
    C38H51F3O5

    M.W.:
    644.82

    Type:
    Unknown

    AlogP:
    8.95

    Polar Surface Area:
    83.83

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
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