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  1. ALA2397732

    Name:
    7-O-Methylisosilychristin

    Mol. Formula:
    C26H24O10

    M.W.:
    496.47

    Type:
    Small molecule

    AlogP:
    2.71

    Polar Surface Area:
    155.14

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  2. ALA2397731

    Name:
    Isosilychristin

    Mol. Formula:
    C25H22O10

    M.W.:
    482.44

    Type:
    Small molecule

    AlogP:
    2.40

    Polar Surface Area:
    166.14

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  3. ALA2397730

    Name:
    7-O-Methylsilychristin

    Mol. Formula:
    C26H24O10

    M.W.:
    496.47

    Type:
    Small molecule

    AlogP:
    2.71

    Polar Surface Area:
    155.14

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  4. ALA2397729

    Name:
    7-O-Methylisosilybin B

    Mol. Formula:
    C26H24O10

    M.W.:
    496.47

    Type:
    Small molecule

    AlogP:
    2.67

    Polar Surface Area:
    144.14

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  5. ALA2397728

    Name:
    7-O-Methylisosilybin A

    Mol. Formula:
    C26H24O10

    M.W.:
    496.47

    Type:
    Small molecule

    AlogP:
    2.67

    Polar Surface Area:
    144.14

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  6. ALA2386150

    Name:
    6-(4-isopropylphenyl)nicotinonitrile

    Mol. Formula:
    C15H14N2

    M.W.:
    222.29

    Type:
    Small molecule

    AlogP:
    3.74

    Polar Surface Area:
    36.68

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  7. ALA2386141

    Name:
    5-fluoro-2-(4-(1-(trifluoromethyl)cyclopropyl)phenyl)pyridine

    Mol. Formula:
    C15H11F4N

    M.W.:
    281.25

    Type:
    Small molecule

    AlogP:
    4.48

    Polar Surface Area:
    12.89

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  8. ALA2386140

    Name:
    2-(4-tert-butylphenyl)-5-fluoropyridine

    Mol. Formula:
    C15H16FN

    M.W.:
    229.30

    Type:
    Small molecule

    AlogP:
    4.19

    Polar Surface Area:
    12.89

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  9. ALA2334337

    Name:
    (4-((4-chloro-2-fluorophenyl)(pyridin-3-yl)methyl)piperazin-1-yl)(4-methyltShow More

    Mol. Formula:
    C21H20ClFN4OS

    M.W.:
    430.94

    Type:
    Small molecule

    AlogP:
    4.19

    Polar Surface Area:
    49.33

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  10. ALA2334336

    Name:
    1-((4-chloro-2-fluorophenyl)(pyridin-3-yl)methyl)-4-(phenylsulfonyl)piperazShow More

    Mol. Formula:
    C22H21ClFN3O2S

    M.W.:
    445.95

    Type:
    Small molecule

    AlogP:
    3.97

    Polar Surface Area:
    53.51

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
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