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  1. ALA4476665

    Name:
    4'-aminoxanilic acid

    Cas Number:
    103-92-4

    Mol. Formula:
    C8H8N2O3

    M.W.:
    180.16

    Type:
    Unknown

    AlogP:
    0.29

    Polar Surface Area:
    92.42

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  2. ALA5279562

    Name:
    ((((1,4,8,11-tetraazacyclotetradecane-1,4,8,11-tet
    Show More

    Mol. Formula:
    C46H48F8N4Na4O16P4

    M.W.:
    1280.74

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA5278919

    Name:
    ((4-(2-(1H-benzo[d][1,2,3]triazol-1-yl)-2-(4-(3-me
    Show More

    Mol. Formula:
    C33H28F2N5O4P

    M.W.:
    627.59

    Type:
    ---

    AlogP:
    7.11

    Polar Surface Area:
    127.16

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  4. ALA4094898

    Name:
    (1E,1'E)-diethyl-2,2'-((((2-((4-([1,1'-biphenyl]-4
    Show More

    Mol. Formula:
    C47H43NO10S2

    M.W.:
    845.99

    Type:
    Small molecule

    AlogP:
    10.23

    Polar Surface Area:
    143.53

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  5. ALA4102541

    Name:
    (1E,1'E)-diethyl-2,2'-((((2-((4-(4-ethylphenoxy)ph
    Show More

    Mol. Formula:
    C43H43NO10S2

    M.W.:
    797.95

    Type:
    Small molecule

    AlogP:
    9.13

    Polar Surface Area:
    143.53

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  6. ALA4473098

    Name:
    Oxepinamide H

    Mol. Formula:
    C20H19N3O4

    M.W.:
    365.39

    Type:
    Unknown

    AlogP:
    1.90

    Polar Surface Area:
    82.45

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.90

    DETAILS
  7. ALA4066472

    Name:
    (1E,1'E)-diethyl-2,2'-((((2-((4-(4-bromo-2-chlorop
    Show More

    Mol. Formula:
    C41H37BrClNO10S2

    M.W.:
    883.24

    Type:
    Small molecule

    AlogP:
    9.98

    Polar Surface Area:
    143.53

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  8. ALA3982169

    Name:
    US9217012, 4

    Mol. Formula:
    C20H29F2N4O7P

    M.W.:
    506.44

    Type:
    Small molecule

    AlogP:
    0.24

    Polar Surface Area:
    187.92

    HBA:
    5

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  9. ALA3818452

    Name:
    [(4-{[(S)-1-{(S)-1-Carbamoyl-2-[4-(difluoro-phosph
    Show More

    Mol. Formula:
    C28H29F4N3O10P2

    M.W.:
    705.49

    Type:
    Small molecule

    AlogP:
    2.33

    Polar Surface Area:
    236.58

    HBA:
    6

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  10. ALA5093253

    Name:
    4-[[8-fluoro-3,6-dihydroxy-7-(1,1,4-trioxo-1,2,5-t
    Show More

    Mol. Formula:
    C18H18FN3O6S

    M.W.:
    423.42

    Type:
    Unknown

    AlogP:
    1.89

    Polar Surface Area:
    139.96

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  11. ALA5092308

    Name:
    5-[7-[1-(cyclopropylmethyl)pyrazol-4-yl]-1-fluoro-
    Show More

    Mol. Formula:
    C19H17FN4O4S

    M.W.:
    416.43

    Type:
    Unknown

    AlogP:
    2.14

    Polar Surface Area:
    104.53

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  12. ALA5089047

    Name:
    5-[1-fluoro-3-hydroxy-6-(3-hydroxy-3-methylbutoxy)
    Show More

    Mol. Formula:
    C17H19FN2O6S

    M.W.:
    398.41

    Type:
    Unknown

    AlogP:
    1.41

    Polar Surface Area:
    116.17

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  13. ALA5087544

    Name:
    5-[1-fluoro-3-hydroxy-7-(tetrahydropyran-3-ylmetho
    Show More

    Mol. Formula:
    C18H19FN2O6S

    M.W.:
    410.42

    Type:
    Unknown

    AlogP:
    1.67

    Polar Surface Area:
    105.17

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  14. ALA5085615

    Name:
    5-[1-fluoro-3-hydroxy-7-[(3S)-3-hydroxybutoxy]-2-n
    Show More

    Mol. Formula:
    C16H17FN2O6S

    M.W.:
    384.39

    Type:
    Unknown

    AlogP:
    1.02

    Polar Surface Area:
    116.17

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  15. ALA5085502

    Name:
    4-[[8-fluoro-6-hydroxy-7-(1,1,4-trioxo-1,2,5-thiad
    Show More

    Mol. Formula:
    C18H18FN3O5S

    M.W.:
    407.42

    Type:
    Unknown

    AlogP:
    2.18

    Polar Surface Area:
    119.73

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  16. ALA5084380

    Name:
    5-[7-(1-ethylsulfonyl-2,5-dihydropyrrol-3-yl)-1-fl
    Show More

    Mol. Formula:
    C18H18FN3O6S2

    M.W.:
    455.49

    Type:
    Unknown

    AlogP:
    0.91

    Polar Surface Area:
    124.09

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  17. ALA5084112

    Name:
    5-[7-[2-(azetidin-1-yl)ethylamino]-1-fluoro-3-hydr
    Show More

    Mol. Formula:
    C17H19FN4O4S

    M.W.:
    394.43

    Type:
    Unknown

    AlogP:
    0.98

    Polar Surface Area:
    101.98

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  18. ALA5080612

    Name:
    5-[1-fluoro-3-hydroxy-7-(1-isopentylsulfonyl-2,5-d
    Show More

    Mol. Formula:
    C21H24FN3O6S2

    M.W.:
    497.57

    Type:
    Unknown

    AlogP:
    1.94

    Polar Surface Area:
    124.09

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  19. ALA5076419

    Name:
    5-[7-(2-cyclopropylethylamino)-1-fluoro-3-hydroxy-
    Show More

    Mol. Formula:
    C17H18FN3O4S

    M.W.:
    379.41

    Type:
    Unknown

    AlogP:
    2.08

    Polar Surface Area:
    98.74

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  20. ALA5075269

    Name:
    5-[7-[2-(2,2-difluorocyclopropyl)ethoxy]-1-fluoro-
    Show More

    Mol. Formula:
    C17H15F3N2O5S

    M.W.:
    416.38

    Type:
    Unknown

    AlogP:
    2.29

    Polar Surface Area:
    95.94

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
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