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Compounds

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  1. ALA3707141

    Name:
    [3H]-glycylsarcosine

    Mol. Formula:
    C5H10N2O3

    M.W.:
    148.15

    60  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    -1.51

    Polar Surface Area:
    83.63

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  2. ALA2075020

    Name:
    N-methyl-glycylglycine

    Cas Number:
    38082-72-3

    Mol. Formula:
    C5H10N2O3

    M.W.:
    146.15

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    -1.59

    Polar Surface Area:
    78.43

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  3. ALA2074937

    Name:
    D-Phe-L-Gln

    Mol. Formula:
    C14H19N3O4

    M.W.:
    293.32

    1  activity values

    1   unique targets

    Type:
    Small molecule

    AlogP:
    -0.61

    Polar Surface Area:
    135.51

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  4. ALA2074935

    Name:
    L-Valine t-butyl ester

    Cas Number:
    13211-31-9

    Mol. Formula:
    C9H19NO2

    M.W.:
    173.26

    3  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    1.31

    Polar Surface Area:
    52.32

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.64

    DETAILS
  5. ALA2074934

    Name:
    L-Valine ethyl ester

    Cas Number:
    17431-03-7

    Mol. Formula:
    C7H15NO2

    M.W.:
    145.20

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    0.53

    Polar Surface Area:
    52.32

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.59

    DETAILS
  6. ALA2074933

    Name:
    L-Valine benzyl ester

    Cas Number:
    21760-98-5

    Mol. Formula:
    C12H17NO2

    M.W.:
    207.27

    3  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    1.71

    Polar Surface Area:
    52.32

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  7. ALA2074648

    Name:
    beta-Asp-Gly

    Cas Number:
    3790-52-1

    Mol. Formula:
    C6H10N2O5

    M.W.:
    190.16

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    -2.01

    Polar Surface Area:
    129.72

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  8. ALA1229072

    Name:
    Ile-OMe

    Cas Number:
    2577-46-0

    Mol. Formula:
    C7H15NO2

    M.W.:
    145.20

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    0.53

    Polar Surface Area:
    52.32

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.59

    DETAILS
  9. ALA1229070

    Name:
    Leu-OMe

    Cas Number:
    2666-93-5

    Mol. Formula:
    C7H15NO2

    M.W.:
    145.20

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    0.53

    Polar Surface Area:
    52.32

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.59

    DETAILS
  10. ALA1193103

    Name:
    Gly-OMe

    Cas Number:
    616-34-2

    Mol. Formula:
    C3H7NO2

    M.W.:
    89.09

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    -0.88

    Polar Surface Area:
    52.32

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.42

    DETAILS
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