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  1. ALA1808151

    Name:
    23-chloro-2,3-dehydrosilybin

    Mol. Formula:
    C25H19ClO9

    M.W.:
    498.87

    Type:
    Small molecule

    AlogP:
    4.41

    Polar Surface Area:
    138.82

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  2. ALA1808150

    Name:
    Silybin-23-O-(4-nitrophenyl)-phosphate sodium salt

    Mol. Formula:
    C31H23NNaO15P

    M.W.:
    703.48

    Type:
    Small molecule

    AlogP:
    5.28

    Polar Surface Area:
    237.72

    HBA:
    14

    HBD:
    5

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  3. ALA1808149

    Name:
    2,3-dehydrosilybin-23-O-sulphate sodium salt

    Mol. Formula:
    C25H19NaO13S

    M.W.:
    582.47

    Type:
    Small molecule

    AlogP:
    2.99

    Polar Surface Area:
    202.42

    HBA:
    12

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  4. ALA1808148

    Name:
    23-amino-2,3-dehydrosilybin

    Mol. Formula:
    C25H21NO9

    M.W.:
    479.44

    Type:
    Small molecule

    AlogP:
    3.13

    Polar Surface Area:
    164.84

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  5. ALA1808147

    Name:
    23-azido-2,3-dehydrosilybin

    Mol. Formula:
    C25H19N3O9

    M.W.:
    505.44

    Type:
    Small molecule

    AlogP:
    4.48

    Polar Surface Area:
    187.58

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  6. ALA1808146

    Name:
    sodium(6-((2R,3R)-3,5-dihydroxy-4-oxochroman-2-yl)-3-(4-hydroxy-3-methoxyphShow More

    Mol. Formula:
    C31H25NNaO14P

    M.W.:
    689.50

    Type:
    Small molecule

    AlogP:
    4.77

    Polar Surface Area:
    213.58

    HBA:
    13

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  7. ALA1808145

    Name:
    23-amine-silybin

    Mol. Formula:
    C25H23NO8

    M.W.:
    465.46

    Type:
    Small molecule

    AlogP:
    2.62

    Polar Surface Area:
    140.70

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  8. ALA1808144

    Name:
    23-azide-silybin

    Mol. Formula:
    C25H21N3O8

    M.W.:
    491.46

    Type:
    Small molecule

    AlogP:
    3.98

    Polar Surface Area:
    163.44

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  9. ALA1808143

    Name:
    silybin-23-O-sulphate sodium salt

    Mol. Formula:
    C25H21NaO12S

    M.W.:
    568.49

    Type:
    Small molecule

    AlogP:
    2.48

    Polar Surface Area:
    178.28

    HBA:
    11

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  10. ALA1790331

    Name:
    (S)-2-{2-[((S)-2-{2-[3-(4-Cyano-benzyl)-3H-imidazol-4-yl]-acetylamino}-3-meShow More

    Mol. Formula:
    C38H46N6O4S

    M.W.:
    682.89

    Type:
    Small molecule

    AlogP:
    4.94

    Polar Surface Area:
    129.35

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
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