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  1. ALA5287023

    Name:
    4-((7-chloro-3-phenoxyquinolin-4-yl)amino)-2-((die
    Show More

    Mol. Formula:
    C26H26ClN3O2

    M.W.:
    447.97

    Type:
    ---

    AlogP:
    6.97

    Polar Surface Area:
    57.62

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  2. ALA5281963

    Name:
    4-((7-chloroquinolin-4-yl)amino)-2-((hexylamino)me
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    Mol. Formula:
    C22H26ClN3O

    M.W.:
    383.92

    Type:
    ---

    AlogP:
    6.01

    Polar Surface Area:
    57.18

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  3. ALA5281554

    Name:
    4-((7-iodoquinolin-4-yl)amino)-2-((methyl(octyl)am
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    Mol. Formula:
    C25H32IN3O

    M.W.:
    517.46

    Type:
    ---

    AlogP:
    7.08

    Polar Surface Area:
    48.39

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  4. ALA5290974

    Name:
    dimethyl (1S,2S,4S,5S)-4-(2-aminoethoxy)-5-(((2S,3
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    Mol. Formula:
    C18H31NO11

    M.W.:
    437.44

    Type:
    ---

    AlogP:
    -3.11

    Polar Surface Area:
    187.23

    HBA:
    12

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  5. ALA4789633

    Name:
    diethyl 3-((2-((1-((2-(3-(trifluoromethoxy)phenyl)
    Show More

    Mol. Formula:
    C39H43F3N3O5P

    M.W.:
    721.76

    Type:
    Unknown

    AlogP:
    9.93

    Polar Surface Area:
    85.91

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  6. ALA4781632

    Name:
    Diethyl({4-[2-({1-[(2-phenyl-1H-1,3-benzodiazol-6-
    Show More

    Mol. Formula:
    C37H42N3O5P

    M.W.:
    639.73

    Type:
    Unknown

    AlogP:
    8.62

    Polar Surface Area:
    85.91

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  7. ALA4550796

    Name:
    N,N'-Bis[3-(diethylamino)propyl]-1,5-naphthyridine
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    Mol. Formula:
    C22H38N6

    M.W.:
    386.59

    Type:
    Unknown

    AlogP:
    3.92

    Polar Surface Area:
    56.32

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  8. ALA4764870

    Name:
    diethyl 3-((2-((1-((2-(4-(trifluoromethyl)phenyl)-
    Show More

    Mol. Formula:
    C39H43F3N3O4P

    M.W.:
    705.76

    Type:
    Unknown

    AlogP:
    10.05

    Polar Surface Area:
    76.68

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  9. ALA5275329

    Name:
    2-((diethylamino)methyl)-4-((7-iodoquinolin-4-yl)a
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    Mol. Formula:
    C20H22IN3O

    M.W.:
    447.32

    Type:
    ---

    AlogP:
    5.13

    Polar Surface Area:
    48.39

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  10. ALA5205032

    Name:
    Remdesivir; Veklury

    Mol. Formula:
    C26H33N6O8P

    M.W.:
    588.56

    Type:
    ---

    AlogP:
    2.06

    Polar Surface Area:
    203.55

    HBA:
    13

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  11. ALA5200782

    Name:
    (3R,5R)-N-(4-aminocyclohexyl)-3-methyl-5-phenyl-ad
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    Mol. Formula:
    C24H34N2O

    M.W.:
    366.55

    Type:
    ---

    AlogP:
    4.30

    Polar Surface Area:
    55.12

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  12. ALA5199121

    Name:
    (4aR,6aS,6bR,8aR,12aR,12bR,14bS)-N-ethynyl-2,2,6a,
    Show More

    Mol. Formula:
    C37H53N3O3

    M.W.:
    587.85

    Type:
    ---

    AlogP:
    7.92

    Polar Surface Area:
    79.17

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  13. ALA5197749

    Name:
    N'-(2-((5-chloro-2-nitrophenyl)thio)phenyl)-2-(pyr
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    Mol. Formula:
    C18H19ClN4O3S

    M.W.:
    406.90

    Type:
    ---

    AlogP:
    3.94

    Polar Surface Area:
    87.51

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  14. ALA5193528

    Name:
    2-((5-((3-(dimethylamino)phenoxy)methyl)-4-phenyl-
    Show More

    Mol. Formula:
    C27H29N5O3S

    M.W.:
    503.63

    Type:
    ---

    AlogP:
    5.04

    Polar Surface Area:
    81.51

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  15. ALA5183759

    Name:
    (2R,3S,4S,5R,6R)-2-(acetoxymethyl)-6-((4aR,6aS,6bR
    Show More

    Mol. Formula:
    C45H65NO11

    M.W.:
    796.01

    Type:
    ---

    AlogP:
    6.72

    Polar Surface Area:
    160.60

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  16. ALA5176722

    Name:
    2-phenyl-4-(1,2,2,2-tetrafluoroethyl)-3H-benzo[b][
    Show More

    Mol. Formula:
    C17H12F4N2

    M.W.:
    320.29

    Type:
    ---

    AlogP:
    5.18

    Polar Surface Area:
    24.72

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  17. ALA5172194

    Name:
    2-((2-(1-benzylpiperidin-4-yl)ethyl)amino)-N-(9H-c
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    Mol. Formula:
    C28H32N4O

    M.W.:
    440.59

    Type:
    ---

    AlogP:
    4.76

    Polar Surface Area:
    49.30

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  18. ALA5171151

    Name:
    N'-(2-((5-chloro-2-nitrophenyl)thio)phenyl)-2-(die
    Show More

    Mol. Formula:
    C18H21ClN4O3S

    M.W.:
    408.91

    Type:
    ---

    AlogP:
    4.18

    Polar Surface Area:
    87.51

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  19. ALA5169358

    Name:
    N-([1,1'-biphenyl]-2-yl)-2-((4-methoxy-N-(p-tolyl)
    Show More

    Mol. Formula:
    C28H26N2O4S

    M.W.:
    486.59

    Type:
    ---

    AlogP:
    5.50

    Polar Surface Area:
    75.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  20. ALA4752401

    Name:
    diethyl 4-((2-(1-((2-(4-(trifluoromethoxy)phenyl)-
    Show More

    Mol. Formula:
    C38H41F3N3O6P

    M.W.:
    723.73

    Type:
    Unknown

    AlogP:
    9.52

    Polar Surface Area:
    95.14

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
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