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  1. ALA4869731

    Name:
    5(6)-epi-physachenolide C

    Mol. Formula:
    C30H40O9

    M.W.:
    544.64

    Type:
    Unknown

    AlogP:
    2.30

    Polar Surface Area:
    142.89

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  2. ALA5286750

    Name:
    [2-[[2-(4-methoxyphenyl)benzotriazol-5-yl]amino]-2
    Show More

    Mol. Formula:
    C15H13N5O5

    M.W.:
    343.30

    Type:
    ---

    AlogP:
    1.58

    Polar Surface Area:
    121.41

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  3. ALA4862984

    Name:
    18-Acetoxy-17-epiwithanolide K

    Mol. Formula:
    C30H40O8

    M.W.:
    528.64

    Type:
    Unknown

    AlogP:
    3.09

    Polar Surface Area:
    130.36

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  4. ALA4858112

    Name:
    Physachenolide D

    Mol. Formula:
    C30H40O8

    M.W.:
    528.64

    Type:
    Unknown

    AlogP:
    3.09

    Polar Surface Area:
    130.36

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  5. ALA4790345

    Name:
    (2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chl
    Show More

    Mol. Formula:
    C50H51Cl2F4N7O6S

    M.W.:
    1024.97

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA4789750

    Name:
    2-((6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thie
    Show More

    Mol. Formula:
    C50H50ClN9O14S

    M.W.:
    1068.52

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA4547536

    Name:
    5,5-Dimethyl-3-(4-nitro-2-(trifluoromethyl)phenyl)
    Show More

    Mol. Formula:
    C19H13F6N3O4

    M.W.:
    461.32

    Type:
    Unknown

    AlogP:
    5.38

    Polar Surface Area:
    83.76

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  8. ALA4549796

    Name:
    3-((3,4-Difluorophenyl)thio)-2-hydroxy-2-methyl-N-
    Show More

    Mol. Formula:
    C17H13F5N2O4S

    M.W.:
    436.36

    Type:
    Unknown

    AlogP:
    4.37

    Polar Surface Area:
    92.47

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  9. ALA4549022

    Name:
    2-Hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)p
    Show More

    Mol. Formula:
    C18H14F6N2O6S

    M.W.:
    500.37

    Type:
    Unknown

    AlogP:
    3.80

    Polar Surface Area:
    126.61

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  10. ALA4756981

    Name:
    N-(4-cyano-3-(trifluoromethyl)phenyl)-2-hydroxy-2-
    Show More

    Mol. Formula:
    C18H13F6N3O3S

    M.W.:
    465.38

    Type:
    Unknown

    AlogP:
    3.49

    Polar Surface Area:
    109.07

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  11. ALA4764616

    Name:
    (2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chl
    Show More

    Mol. Formula:
    C50H52Cl2F4N6O7S

    M.W.:
    1027.97

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA4525698

    Name:
    3-(4-Cyanophenoxy)-2-hydroxy-2-methyl-N-(4-nitro-3
    Show More

    Mol. Formula:
    C18H14F3N3O5

    M.W.:
    409.32

    Type:
    Unknown

    AlogP:
    3.25

    Polar Surface Area:
    125.49

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  13. ALA4525680

    Name:
    N-(4-Cyano-3-(trifluoromethyl)phenyl)-2-hydroxy-2-
    Show More

    Mol. Formula:
    C19H14F6N2O3

    M.W.:
    432.32

    Type:
    Unknown

    AlogP:
    4.36

    Polar Surface Area:
    82.35

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  14. ALA4556247

    Name:
    (R)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-2-hydrox
    Show More

    Mol. Formula:
    C19H14F6N2O2S

    M.W.:
    448.39

    Type:
    Unknown

    AlogP:
    5.08

    Polar Surface Area:
    73.12

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  15. ALA4555717

    Name:
    2-Hydroxy-2-methyl-N-(4-nitro-2-(trifluoromethyl)p
    Show More

    Mol. Formula:
    C18H14F6N2O5S

    M.W.:
    484.37

    Type:
    Unknown

    AlogP:
    4.99

    Polar Surface Area:
    101.70

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  16. ALA4541556

    Name:
    2-Hydroxy-2-methyl-N-(4-nitro-3-(trifluoromethyl)p
    Show More

    Mol. Formula:
    C18H14F6N2O6S

    M.W.:
    500.37

    Type:
    Unknown

    AlogP:
    3.80

    Polar Surface Area:
    126.61

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  17. ALA5207476

    Name:
    (3S,7S,25R,28R)-33-(4-(4-(((2R,3S)-1-(((2aR,4S,4aS
    Show More

    Mol. Formula:
    C99H123ClFN11O27

    M.W.:
    1953.57

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  18. ALA5200852

    Name:
    2-(1,3-benzothiazol-2-ylsulfanyl)-N-(4-pyridyl)-N-
    Show More

    Mol. Formula:
    C23H21N3O4S2

    M.W.:
    467.57

    Type:
    ---

    AlogP:
    5.17

    Polar Surface Area:
    73.78

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  19. ALA5198326

    Name:
    (3R,7R,25R,28R)-33-(4-(4-(((2S,3R)-1-(((2aS,4R,4aR
    Show More

    Mol. Formula:
    C99H125N11O27

    M.W.:
    1901.14

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  20. ALA5091632

    Name:
    (2S,4S)-1-((2S)-2-tert-butyl-17-((6S)-4-(4-chlorop
    Show More

    Mol. Formula:
    C49H60ClN9O8S2

    M.W.:
    1002.66

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
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