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Compounds

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  1. ALA5205745

    Name:
    methyl (2R,5S)-2-methoxy-7-methyl-2-oxo-5-pentyl-4,5-dihydro-3H-1,2lambda5-Show More⌵

    Mol. Formula:
    C14H25O5P

    M.W.:
    304.32

    3  activity values

    2   unique targets

    Type:
    ---

    AlogP:
    3.89

    Polar Surface Area:
    61.83

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  2. ALA5093766

    Name:
    (2S,6S,9S,10S)-hexyl 2-((1H-indol-3-yl)methyl)-13-amino-6-(cyclohexylmethylShow More⌵

    Mol. Formula:
    C43H63N9O10

    M.W.:
    866.03

    3  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    1.45

    Polar Surface Area:
    272.07

    HBA:
    12

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  3. ALA5093062

    Name:
    (2S,6S,9S,10S)-dodecyl 2-((1H-indol-3-yl)methyl)-13-amino-6-(cyclohexylmethShow More⌵

    Mol. Formula:
    C49H75N9O10

    M.W.:
    950.19

    1  activity values

    1   unique targets

    Type:
    Unknown

    AlogP:
    3.79

    Polar Surface Area:
    272.07

    HBA:
    12

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    27

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  4. ALA5089626

    Name:
    (2S,6S,9S,10S)-dodecyl 2-((1H-indol-3-yl)methyl)-13-amino-9-(((2R,4R,5R)-5-Show More⌵

    Mol. Formula:
    C53H71N9O10

    M.W.:
    994.20

    1  activity values

    1   unique targets

    Type:
    Unknown

    AlogP:
    4.21

    Polar Surface Area:
    272.07

    HBA:
    12

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    27

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  5. ALA5088658

    Name:
    (2S,6S,9S,10S)-hexyl 2-((1H-indol-3-yl)methyl)-13-amino-9-(((2R,4R,5R)-5-(2Show More⌵

    Mol. Formula:
    C47H59N9O10

    M.W.:
    910.04

    3  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    1.87

    Polar Surface Area:
    272.07

    HBA:
    12

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  6. ALA5088358

    Name:
    (2S,6S,9S,10S)-neopentyl 2-((1H-indol-3-yl)methyl)-13-amino-6-(cyclohexylmeShow More⌵

    Mol. Formula:
    C42H61N9O10

    M.W.:
    852.00

    3  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    0.91

    Polar Surface Area:
    272.07

    HBA:
    12

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  7. ALA5087810

    Name:
    (2S,3S)-3-(2-amino-N-methylacetamido)-2-((S)-2-(3-((S)-1-(benzylamino)-3-(1Show More⌵

    Mol. Formula:
    C48H54N10O9

    M.W.:
    915.02

    3  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    1.06

    Polar Surface Area:
    274.87

    HBA:
    11

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  8. ALA5086535

    Name:
    (2S,3S)-3-(2-amino-N-methylacetamido)-2-((S)-2-(3-((S)-1-(benzylamino)-3-(1Show More⌵

    Mol. Formula:
    C44H58N10O9

    M.W.:
    871.01

    3  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    0.64

    Polar Surface Area:
    274.87

    HBA:
    11

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  9. ALA5086438

    Name:
    (2S,3S)-2-((S)-2-(3-((S)-3-(1H-indol-3-yl)-1-(neopentylamino)-1-oxopropan-2Show More⌵

    Mol. Formula:
    C46H58N10O9

    M.W.:
    895.03

    17  activity values

    13   unique targets

    Type:
    Unknown

    AlogP:
    0.91

    Polar Surface Area:
    274.87

    HBA:
    11

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  10. ALA5085746

    Name:
    (2S,3S)-3-(2-amino-N-methylacetamido)-N-(((2R,4R,5R)-5-(2,4-dioxo-3,4-dihydShow More⌵

    Mol. Formula:
    C47H60N10O9

    M.W.:
    909.06

    3  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    1.44

    Polar Surface Area:
    274.87

    HBA:
    11

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  11. ALA5082352

    Name:
    (2S,6S,9S,10S)-benzyl 2-((1H-indol-3-yl)methyl)-13-amino-9-(((2R,4R,5R)-5-(Show More⌵

    Mol. Formula:
    C48H53N9O10

    M.W.:
    916.00

    3  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    1.49

    Polar Surface Area:
    272.07

    HBA:
    12

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  12. ALA5080603

    Name:
    (2S,3S)-3-(2-amino-N-methylacetamido)-2-((S)-3-cyclohexyl-2-(3-((S)-1-(hexyShow More⌵

    Mol. Formula:
    C43H64N10O9

    M.W.:
    865.05

    3  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    1.02

    Polar Surface Area:
    274.87

    HBA:
    11

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  13. ALA5080356

    Name:
    (2S,6S,9S,10S)-benzyl 2-((1H-indol-3-yl)methyl)-13-amino-6-(cyclohexylmethyShow More⌵

    Mol. Formula:
    C44H57N9O10

    M.W.:
    871.99

    3  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    1.07

    Polar Surface Area:
    272.07

    HBA:
    12

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  14. ALA5077797

    Name:
    (2S,6S,9S,10S)-neopentyl 2-((1H-indol-3-yl)methyl)-13-amino-9-(((2R,4R,5R)-Show More⌵

    Mol. Formula:
    C46H57N9O10

    M.W.:
    896.01

    3  activity values

    2   unique targets

    Type:
    Unknown

    AlogP:
    1.34

    Polar Surface Area:
    272.07

    HBA:
    12

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  15. ALA5077181

    Name:
    (2S,3S)-2-((S)-2-(3-((S)-3-(1H-indol-3-yl)-1-(neopentylamino)-1-oxopropan-2Show More⌵

    Mol. Formula:
    C42H62N10O9

    M.W.:
    851.02

    16  activity values

    12   unique targets

    Type:
    Unknown

    AlogP:
    0.48

    Polar Surface Area:
    274.87

    HBA:
    11

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  16. ALA5076116

    Name:
    (2S,6S,9S,10S)-methyl 2-((1H-indol-3-yl)methyl)-13-amino-6-(cyclohexylmethyShow More⌵

    Mol. Formula:
    C38H53N9O10

    M.W.:
    795.89

    1  activity values

    1   unique targets

    Type:
    Unknown

    AlogP:
    -0.50

    Polar Surface Area:
    272.07

    HBA:
    12

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  17. ALA5069509

    Name:
    (2S,6S,9S,10S)-methyl 2-((1H-indol-3-yl)methyl)-13-amino-9-(((2R,4R,5R)-5-(Show More⌵

    Mol. Formula:
    C42H49N9O10

    M.W.:
    839.91

    1  activity values

    1   unique targets

    Type:
    Unknown

    AlogP:
    -0.08

    Polar Surface Area:
    272.07

    HBA:
    12

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  18. ALA3637830

    Name:

    Mol. Formula:
    C19H23N3O2S

    M.W.:
    357.48

    8  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    2.82

    Polar Surface Area:
    45.67

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  19. ALA3637829

    Name:

    Mol. Formula:
    C18H20N2O3

    M.W.:
    312.37

    8  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    2.65

    Polar Surface Area:
    71.19

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  20. ALA3637828

    Name:

    Mol. Formula:
    C20H19FN4O

    M.W.:
    350.40

    7  activity values

    4   unique targets

    Type:
    Small molecule

    AlogP:
    3.94

    Polar Surface Area:
    59.93

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
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