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Compounds

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Items 1-20 of 1,458

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  1. ALA5268482

    Name:
    2-(1-(2-((((1r,4r)-4-((1H-benzo[d]imidazol-2-yl)amino)cyclohexyl)methyl)amiShow 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
  2. ALA5287343

    Name:
    2-(1-(2-((((1r,4r)-4-((1H-benzo[d]imidazol-2-yl)amino)cyclohexyl)methyl)amiShow 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
  3. ALA5208467

    Name:

    Mol. Formula:
    C97H143N27O25S3

    M.W.:
    2183.58

    6  activity values

    5   unique targets

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA5203975

    Name:

    Mol. Formula:
    C59H91N17O18S2

    M.W.:
    1390.61

    6  activity values

    5   unique targets

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA5175534

    Name:

    Mol. Formula:
    C89H135N27O25S4

    M.W.:
    2111.49

    6  activity values

    5   unique targets

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA4869261

    Name:
    2-(4-(4-((1-(20-(4-(guanidinomethyl)phenoxy)-3,6,9,12,15,18-hexaoxaicosyl)-Show More⌵

    Mol. Formula:
    C39H48I4N6O11

    M.W.:
    1284.46

    3  activity values

    3   unique targets

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA4869033

    Name:
    2-(4-(4-((1-(20-(4-(guanidinomethyl)-2,6-diiodopherzoxy)-3,6,9,12,15,18-hexShow More⌵

    Mol. Formula:
    C41H52I4N6O13

    M.W.:
    1344.51

    4  activity values

    3   unique targets

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA4868199

    Name:
    2-(4-(4-((1-(20-(4-(guanidinomethyl)-2,6-diiodophenoxy)-3,6,9,12,15,18-hexaShow More⌵

    Mol. Formula:
    C39H46I6N6O11

    M.W.:
    1536.25

    4  activity values

    3   unique targets

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA4864932

    Name:
    2-(4-(4-(3-(4-(23-(4-(guanidinomethyl)phenoxy)-3,6,9,12,15,18,21-heptaoxatrShow More⌵

    Mol. Formula:
    C45H63I4N5O12

    M.W.:
    1373.64

    3  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA4800039

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

    Mol. Formula:
    C29H40BrN9O7

    M.W.:
    706.60

    3  activity values

    3   unique targets

    Type:
    Unknown

    AlogP:
    -0.72

    Polar Surface Area:
    251.70

    HBA:
    7

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  11. ALA4799980

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

    Mol. Formula:
    C29H40BrN9O7

    M.W.:
    706.60

    2  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    -0.72

    Polar Surface Area:
    251.70

    HBA:
    7

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  12. ALA4799184

    Name:
    (S)-3-(3-Chlorophenyl)-4-oxo-4-((R)-3-(2-(5,6,7,8-tetrahydro-1,8-naphthyridShow More⌵

    Mol. Formula:
    C24H28ClN3O3

    M.W.:
    441.96

    5  activity values

    3   unique targets

    Type:
    Unknown

    AlogP:
    4.13

    Polar Surface Area:
    82.53

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  13. ALA4798864

    Name:
    (S)-3-(4-Bromophenyl)-4-oxo-4-((R)-3-(2-(5,6,7,8-tetrahydro-1,8-naphthyridiShow More⌵

    Mol. Formula:
    C24H28BrN3O3

    M.W.:
    486.41

    3  activity values

    3   unique targets

    Type:
    Unknown

    AlogP:
    4.24

    Polar Surface Area:
    82.53

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  14. ALA4798169

    Name:
    2-((2S,5R,8S,11S)-5-((6-bromo-1H-indol-3-yl)methyl)-11-(3-guanidinopropyl)-Show More⌵

    Mol. Formula:
    C28H38BrN9O7

    M.W.:
    692.57

    3  activity values

    3   unique targets

    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
  15. ALA4798050

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

    Mol. Formula:
    C28H38ClN9O7

    M.W.:
    648.12

    3  activity values

    3   unique targets

    Type:
    Unknown

    AlogP:
    -1.17

    Polar Surface Area:
    260.49

    HBA:
    7

    HBD:
    10

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  16. ALA4798049

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

    Mol. Formula:
    C28H38BrN9O7

    M.W.:
    692.57

    3  activity values

    3   unique targets

    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
  17. ALA4795994

    Name:
    2-((2S,5R,8S,11S)-5-((7-(anthracen-9-yl)-1H-indol-3-yl)methyl)-11-(3-guanidShow More⌵

    Mol. Formula:
    C42H47N9O7

    M.W.:
    789.89

    6  activity values

    6   unique targets

    Type:
    Unknown

    AlogP:
    2.15

    Polar Surface Area:
    260.49

    HBA:
    7

    HBD:
    10

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  18. ALA4794071

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

    Mol. Formula:
    C28H38IN9O7

    M.W.:
    739.57

    3  activity values

    3   unique targets

    Type:
    Unknown

    AlogP:
    -1.22

    Polar Surface Area:
    260.49

    HBA:
    7

    HBD:
    10

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  19. ALA4793182

    Name:
    2-((2S,5R,8S,11S)-11-(3-guanidinopropyl)-8-isopropyl-5-((7-(4-methoxyphenylShow More⌵

    Mol. Formula:
    C35H45N9O8

    M.W.:
    719.80

    6  activity values

    6   unique targets

    Type:
    Unknown

    AlogP:
    -0.15

    Polar Surface Area:
    269.72

    HBA:
    8

    HBD:
    10

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  20. ALA4792845

    Name:
    (S)-4-Oxo-3-(3-(prop-1-en-2-yl)phenyl)-4-((R)-3-(2-(5,6,7,8-tetrahydro-1,8-Show More⌵

    Mol. Formula:
    C27H33N3O3

    M.W.:
    447.58

    5  activity values

    3   unique targets

    Type:
    Unknown

    AlogP:
    4.51

    Polar Surface Area:
    82.53

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
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