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  1. ALA4476554

    Name:
    2-(2-((3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl)oxy)ethyl)isoindoline-1,3-Show More

    Mol. Formula:
    C26H19NO6

    M.W.:
    441.44

    Type:
    Unknown

    AlogP:
    4.14

    Polar Surface Area:
    86.05

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  2. ALA4471251

    Name:
    7-(2-(cyclopentylamino)ethoxy)-3-(4-methoxyphenyl)-4H-chromen-4-one

    Mol. Formula:
    C23H25NO4

    M.W.:
    379.46

    Type:
    Unknown

    AlogP:
    4.38

    Polar Surface Area:
    60.70

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  3. ALA4450260

    Name:
    7-(2-(cyclohexylamino)ethoxy)-3-(4-methoxyphenyl)-4H-chromen-4-one

    Mol. Formula:
    C24H27NO4

    M.W.:
    393.48

    Type:
    Unknown

    AlogP:
    4.77

    Polar Surface Area:
    60.70

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  4. ALA4294287

    Name:
    N1-(5-Deoxy-1,2-O-isopropylidene-alpha-D-xylofuranose)-5-(N7-(1,2,3,4-tetraShow More

    Mol. Formula:
    C30H45N3O4

    M.W.:
    511.71

    Type:
    Small molecule

    AlogP:
    5.08

    Polar Surface Area:
    84.87

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  5. ALA4287068

    Name:
    N1-(5-Deoxy-1,2-O-isopropylidene-alpha-D-xylofuranose)-5-(N4-(1,2,3,4-tetraShow More

    Mol. Formula:
    C27H39N3O4

    M.W.:
    469.63

    Type:
    Small molecule

    AlogP:
    3.91

    Polar Surface Area:
    84.87

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  6. ALA4283717

    Name:
    N1-(5-Deoxy-1,2-O-isopropylidene-alpha-D-xylofuranose)-5-(N6-(1,2,3,4-tetraShow More

    Mol. Formula:
    C29H43N3O4

    M.W.:
    497.68

    Type:
    Small molecule

    AlogP:
    4.69

    Polar Surface Area:
    84.87

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  7. ALA4280262

    Name:
    N1-(5-Deoxy-1,2-O-isopropylidene-alpha-D-xylofuranose)-5-(N8-(1,2,3,4-tetraShow More

    Mol. Formula:
    C31H47N3O4

    M.W.:
    525.73

    Type:
    Small molecule

    AlogP:
    5.47

    Polar Surface Area:
    84.87

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  8. ALA4279148

    Name:
    N1-(5-Deoxy-1,2-O-isopropylidene-alpha-D-xylofuranose)-5-(N5-(1,2,3,4-tetraShow More

    Mol. Formula:
    C28H41N3O4

    M.W.:
    483.65

    Type:
    Small molecule

    AlogP:
    4.30

    Polar Surface Area:
    84.87

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  9. ALA448799

    Name:
    N-demethylhuperzinine

    Mol. Formula:
    C16H20N2O

    M.W.:
    256.35

    Type:
    Small molecule

    AlogP:
    2.11

    Polar Surface Area:
    44.89

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.80

    DETAILS
  10. ALA470349

    Name:
    Huperzinine

    Mol. Formula:
    C17H22N2O

    M.W.:
    270.38

    Type:
    Small molecule

    AlogP:
    2.46

    Polar Surface Area:
    36.10

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.84

    DETAILS
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