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  1. ALA4869261

    Name:
    2-(4-(4-((1-(20-(4-(guanidinomethyl)phenoxy)-3,6,9
    Show More

    Mol. Formula:
    C39H48I4N6O11

    M.W.:
    1284.46

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA4869033

    Name:
    2-(4-(4-((1-(20-(4-(guanidinomethyl)-2,6-diiodophe
    Show More

    Mol. Formula:
    C41H52I4N6O13

    M.W.:
    1344.51

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA5287343

    Name:
    2-(1-(2-((((1r,4r)-4-((1H-benzo[d]imidazol-2-yl)am
    Show More

    Mol. Formula:
    C29H35N5O5

    M.W.:
    533.63

    Type:
    ---

    AlogP:
    4.04

    Polar Surface Area:
    136.65

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  4. ALA4864932

    Name:
    2-(4-(4-(3-(4-(23-(4-(guanidinomethyl)phenoxy)-3,6
    Show More

    Mol. Formula:
    C45H63I4N5O12

    M.W.:
    1373.64

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA1160327

    Name:
    2-{3-[3'-(2-Carboxy-1-phenyl-ethylsulfamoyl)-4'-me
    Show More

    Mol. Formula:
    C30H27N5O6S

    M.W.:
    585.64

    Type:
    Small molecule

    AlogP:
    5.38

    Polar Surface Area:
    162.51

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  6. ALA1160326

    Name:
    2-{3-[3'-((R)-2-Carboxy-1-phenyl-ethylsulfamoyl)-4
    Show More

    Mol. Formula:
    C30H27N5O6S

    M.W.:
    585.64

    Type:
    Small molecule

    AlogP:
    5.38

    Polar Surface Area:
    162.51

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  7. ALA1160325

    Name:
    2-{3-[3'-((S)-2-Carboxy-1-phenyl-ethylsulfamoyl)-4
    Show More

    Mol. Formula:
    C30H27N5O6S

    M.W.:
    585.64

    Type:
    Small molecule

    AlogP:
    5.38

    Polar Surface Area:
    162.51

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  8. ALA1160320

    Name:
    2-{3-[3'-(2-Carboxy-1-phenyl-ethylsulfamoyl)-biphe
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    Mol. Formula:
    C29H25N5O5S

    M.W.:
    555.62

    Type:
    Small molecule

    AlogP:
    5.37

    Polar Surface Area:
    153.28

    HBA:
    5

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  9. ALA1083696

    Name:
    2-((1R,3S,6S,8aR)-6-((S)-2-amino-5-guanidinopentan
    Show More

    Mol. Formula:
    C21H36N6O6

    M.W.:
    468.56

    Type:
    Small molecule

    AlogP:
    -0.74

    Polar Surface Area:
    200.93

    HBA:
    7

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  10. ALA1083695

    Name:
    (S)-3-(3-methoxy-4-(4-(1,4,5,6-tetrahydropyrimidin
    Show More

    Cas Number:
    247034-73-7

    Mol. Formula:
    C26H34N6O6S

    M.W.:
    558.66

    Type:
    Small molecule

    AlogP:
    0.76

    Polar Surface Area:
    161.46

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  11. ALA4791029

    Name:
    2-((2S,5S,8R,11S)-5-((7-bromo-1H-indol-3-yl)methyl
    Show More

    Mol. Formula:
    C28H38BrN9O7

    M.W.:
    692.57

    Type:
    Unknown

    AlogP:
    -1.06

    Polar Surface Area:
    260.49

    HBA:
    7

    HBD:
    10

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  12. ALA4790959

    Name:
    2-((2S,5R,8S,11S)-5-((7-(3-aminophenyl)-1H-indol-3
    Show More

    Mol. Formula:
    C34H44N10O7

    M.W.:
    704.79

    Type:
    Unknown

    AlogP:
    -0.58

    Polar Surface Area:
    286.51

    HBA:
    8

    HBD:
    11

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  13. ALA4782291

    Name:
    2-((2S,5R,8S,11S)-5-((7-fluoro-1H-indol-3-yl)methy
    Show More

    Mol. Formula:
    C28H38FN9O7

    M.W.:
    631.67

    Type:
    Unknown

    AlogP:
    -1.69

    Polar Surface Area:
    260.49

    HBA:
    7

    HBD:
    10

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  14. ALA4868199

    Name:
    2-(4-(4-((1-(20-(4-(guanidinomethyl)-2,6-diiodophe
    Show More

    Mol. Formula:
    C39H46I6N6O11

    M.W.:
    1536.25

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA4756649

    Name:
    (S)-3-(3-(4-Methylpiperazin-1-yl)phenyl)-4-oxo-4-(
    Show More

    Mol. Formula:
    C29H39N5O3

    M.W.:
    505.66

    Type:
    Unknown

    AlogP:
    3.23

    Polar Surface Area:
    89.01

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  16. ALA4756062

    Name:
    (S)-3-(3-Cyanophenyl)-4-oxo-4-((R)-3-(2-(5,6,7,8-t
    Show More

    Mol. Formula:
    C25H28N4O3

    M.W.:
    432.52

    Type:
    Unknown

    AlogP:
    3.35

    Polar Surface Area:
    106.32

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  17. ALA4776662

    Name:
    (S)-4-Oxo-3-phenyl-4-(3-(3-(5,6,7,8-tetrahydro-1,8
    Show More

    Mol. Formula:
    C24H29N3O3

    M.W.:
    407.51

    Type:
    Unknown

    AlogP:
    3.48

    Polar Surface Area:
    82.53

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  18. ALA4776531

    Name:
    (S)-3-(3,5-Dimethylphenyl)-4-oxo-4-((R)-3-(2-(5,6,
    Show More

    Mol. Formula:
    C26H33N3O3

    M.W.:
    435.57

    Type:
    Unknown

    AlogP:
    4.10

    Polar Surface Area:
    82.53

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  19. ALA4776138

    Name:
    (S)-3-(3,5-Dibromophenyl)-4-oxo-4-((R)-3-(2-(5,6,7
    Show More

    Mol. Formula:
    C24H27Br2N3O3

    M.W.:
    565.31

    Type:
    Unknown

    AlogP:
    5.00

    Polar Surface Area:
    82.53

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  20. ALA5268482

    Name:
    2-(1-(2-((((1r,4r)-4-((1H-benzo[d]imidazol-2-yl)am
    Show More

    Mol. Formula:
    C28H33N5O4

    M.W.:
    503.60

    Type:
    ---

    AlogP:
    4.04

    Polar Surface Area:
    127.42

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
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