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Compounds

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  1. ALA4547728

    Name:
    N-(3-(1-(biphenyl-3-yl)-1H-1,2,3-triazol-4-yl)propyl)-2-chloroacetimidamide

    Mol. Formula:
    C19H20ClN5

    M.W.:
    353.86

    5  activity values

    4   unique targets

    Type:
    Unknown

    AlogP:
    3.67

    Polar Surface Area:
    66.59

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  2. ALA4468883

    Name:
    N-(3-(5-(biphenyl-3-yl)-1H-imidazol-2-yl)propyl)-2-chloroacetimidamide

    Mol. Formula:
    C20H21ClN4

    M.W.:
    352.87

    6  activity values

    4   unique targets

    Type:
    Unknown

    AlogP:
    4.48

    Polar Surface Area:
    64.56

    HBA:
    2

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  3. ALA4449566

    Name:
    N-(3-(5-(biphenyl-3-yl)-4-chloro-1H-imidazol-2-yl)propyl)-2-chloroacetimidaShow More⌵

    Mol. Formula:
    C20H20Cl2N4

    M.W.:
    387.31

    5  activity values

    4   unique targets

    Type:
    Unknown

    AlogP:
    5.14

    Polar Surface Area:
    64.56

    HBA:
    2

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  4. ALA4283755

    Name:
    (S)-2-ethyl-N-(4-(2-fluoroacetimidamido)-1-(4-methoxy-1-methyl-1H-benzo[d]iShow More⌵

    Mol. Formula:
    C26H31FN6O3

    M.W.:
    494.57

    4  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.35

    Polar Surface Area:
    112.34

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  5. ALA4217485

    Name:
    (N1-(3-oxoisoindoline)benzoyl-N5-(2-fluoro-1-iminoethyl)-1-(4-methoxy-1-ethShow More⌵

    Mol. Formula:
    C25H29FN6O3

    M.W.:
    480.54

    7  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    3.10

    Polar Surface Area:
    121.13

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  6. ALA4216740

    Name:
    (N1-(2-methyl-3-oxoisoindoline)benzoyl-N5-(2-fluoro-1-iminoethyl)-1-(4-methShow More⌵

    Mol. Formula:
    C25H29FN6O3

    M.W.:
    480.54

    4  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    2.96

    Polar Surface Area:
    112.34

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  7. ALA4214962

    Name:
    (N1-(3-oxoisoindoline)benzoyl-N5-(2-fluoro-1-iminoethyl)-1-(4-methoxy-1-metShow More⌵

    Mol. Formula:
    C24H27FN6O3

    M.W.:
    466.52

    10  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    2.61

    Polar Surface Area:
    121.13

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  8. ALA4212657

    Name:
    (N1-(2-ethyl-3-oxoisoindoline)benzoyl-N5-(2-fluoro-1-iminoethyl)-1-(4-methoShow More⌵

    Mol. Formula:
    C27H33FN6O3

    M.W.:
    508.60

    4  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.73

    Polar Surface Area:
    112.34

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  9. ALA4211806

    Name:
    (N1-(3-oxoisoindoline)benzoyl-N5-(2-fluoro-1-iminoethyl)-1-(1-ethyl-benzo[dShow More⌵

    Mol. Formula:
    C24H27FN6O2

    M.W.:
    450.52

    6  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.09

    Polar Surface Area:
    111.90

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  10. ALA4211403

    Name:
    (N1-(3-oxoisoindoline)benzoyl-N5-(2-fluoro-1-iminoethyl)-1-(4-ethoxy-1-ethyShow More⌵

    Mol. Formula:
    C25H29FN6O3

    M.W.:
    480.54

    8  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    3.00

    Polar Surface Area:
    121.13

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  11. ALA4210993

    Name:
    (N1-(2-ethyl-3-oxoisoindoline)benzoyl-N5-(2-fluoro-1-iminoethyl)-1-(4-methoShow More⌵

    Mol. Formula:
    C26H31FN6O3

    M.W.:
    494.57

    7  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.35

    Polar Surface Area:
    112.34

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  12. ALA4202969

    Name:
    (N1-(2-ethyl-3-oxoisoindoline)benzoyl-N5-(2-fluoro-1-iminoethyl)-1-(4-methoShow More⌵

    Mol. Formula:
    C27H31FN6O3

    M.W.:
    506.58

    4  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    3.49

    Polar Surface Area:
    112.34

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  13. ALA4202689

    Name:
    (N1-(3-oxoisoindoline)benzoyl-N5-(2-fluoro-1-iminoethyl)-1-(5-methoxy-1-metShow More⌵

    Mol. Formula:
    C24H27FN6O3

    M.W.:
    466.52

    7  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    2.61

    Polar Surface Area:
    121.13

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  14. ALA3409974

    Name:
    (S)-N-(1-(2-tert-butyl-2H-tetrazol-5-yl)-4-(2-chloroacetimidamido)butyl)benShow More⌵

    Mol. Formula:
    C18H26ClN7O

    M.W.:
    391.91

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    2.49

    Polar Surface Area:
    108.58

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
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