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  1. ALA4861888

    Name:
    NA

    Mol. Formula:
    C73H107N23O25S2

    M.W.:
    1770.93

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA5203781

    Name:
    2-((6S,12R,17R,20S,23S,25aS,31S,34S,37S,40S,43R,46
    Show More

    Mol. Formula:
    C62H96N22O21S4

    M.W.:
    1613.85

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA4582201

    Name:
    endo-3-(6-Chloropyridin-3-yl)bicyclo[2.2.1]heptan-
    Show More

    Mol. Formula:
    C12H15ClN2

    M.W.:
    222.72

    Type:
    Unknown

    AlogP:
    2.58

    Polar Surface Area:
    38.91

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.74

    DETAILS
  4. ALA4225359

    Name:
    (S)-N-(2-chlorobenzyl)quinuclidin-3-amine

    Mol. Formula:
    C14H19ClN2

    M.W.:
    250.77

    Type:
    Small molecule

    AlogP:
    2.52

    Polar Surface Area:
    15.27

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.89

    DETAILS
  5. ALA4061049

    Name:
    1-ethyl-4-phenylthiomorpholin-1-ium trifluorometha
    Show More

    Mol. Formula:
    C13H18F3NO3S2

    M.W.:
    357.42

    Type:
    Small molecule

    AlogP:
    2.14

    Polar Surface Area:
    3.24

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.67

    DETAILS
  6. ALA2371820

    Name:
    4-[(2S)-2-[(2S)-2-[(2S,3S)-2-amino-3-methylpentana
    Show More

    Mol. Formula:
    C83H137N31O28S4

    M.W.:
    2145.47

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA2062630

    Name:
    rac-4-bromophenyl 6-methyl-3,6-diaza-bicyclo[3.3.1
    Show More

    Mol. Formula:
    C15H19BrN2O2

    M.W.:
    339.23

    Type:
    Small molecule

    AlogP:
    2.97

    Polar Surface Area:
    32.78

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  8. ALA595312

    Name:
    GCCSRPPCIANNPDLC

    Mol. Formula:
    C65H107N21O22S4

    M.W.:
    1662.96

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA189861

    Name:
    5'-phenyl-3'H-4-azaspiro[bicyclo[2.2.2]octane-2,2'
    Show More

    Mol. Formula:
    C19H20N2O

    M.W.:
    292.38

    Type:
    Small molecule

    AlogP:
    3.15

    Polar Surface Area:
    25.36

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  10. ALA405936

    Name:
    (16R)-9,33-dihydroxy-10,25-dimethoxy-15,15,30-trim
    Show More

    Mol. Formula:
    C37H41N2O6+

    M.W.:
    609.74

    Type:
    Small molecule

    AlogP:
    6.70

    Polar Surface Area:
    80.62

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  11. ALA412032

    Name:
    (3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2
    Show More

    Mol. Formula:
    C65H97N23O24S4

    M.W.:
    1712.90

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA409988

    Name:
    (3S)-3-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(
    Show More

    Mol. Formula:
    C65H99N19O22S4

    M.W.:
    1626.89

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. Type:
    Small molecule

    AlogP:
    1.48

    Polar Surface Area:
    25.36

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.66

    DETAILS
  14. ALA371808

    Name:
    1H-Indole-3-carboxylic acid 1-(1-methyl-pyrrolidin
    Show More

    Mol. Formula:
    C18H24N2O2

    M.W.:
    300.40

    Type:
    Small molecule

    AlogP:
    3.59

    Polar Surface Area:
    45.33

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
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