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  1. ALA4788459

    Name:
    3-beta-(benzoyloxystigmastane)

    Mol. Formula:
    C36H56O2

    M.W.:
    520.84

    Type:
    Unknown

    AlogP:
    9.97

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  2. ALA5280798

    Name:
    N-(5-((3-methoxyphenyl)amino)-1H-1,2,4-triazol-3-y
    Show More

    Mol. Formula:
    C18H21N5O3S

    M.W.:
    387.47

    Type:
    ---

    AlogP:
    3.28

    Polar Surface Area:
    109.00

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  3. ALA5287344

    Name:
    7-hydroxy-3-[(2-oxo-2H-chromen-7-yl)methyl]-2H-chr
    Show More

    Mol. Formula:
    C19H12O5

    M.W.:
    320.30

    Type:
    ---

    AlogP:
    3.20

    Polar Surface Area:
    80.65

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  4. ALA5285878

    Name:
    4,6,7-trihydroxy-3-[(2-oxo-2H-chromen-7-yl)methyl]
    Show More

    Mol. Formula:
    C19H12O7

    M.W.:
    352.30

    Type:
    ---

    AlogP:
    2.61

    Polar Surface Area:
    121.11

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  5. ALA5290566

    Name:
    Pusilatin C

    Mol. Formula:
    C56H46O8

    M.W.:
    846.98

    Type:
    ---

    AlogP:
    12.27

    Polar Surface Area:
    139.84

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  6. ALA5284427

    Name:
    4,7-dihydroxy-6-methoxy-3-[(2-oxo-2H-chromen-7-yl)
    Show More

    Mol. Formula:
    C20H14O7

    M.W.:
    366.33

    Type:
    ---

    AlogP:
    2.91

    Polar Surface Area:
    110.11

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  7. ALA5284382

    Name:
    2,4,5-trimethyl-N-(5-(p-tolylamino)-1H-1,2,4-triaz
    Show More

    Mol. Formula:
    C18H21N5O2S

    M.W.:
    371.47

    Type:
    ---

    AlogP:
    3.58

    Polar Surface Area:
    99.77

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  8. ALA5275313

    Name:
    2,4,5-trimethyl-N-(5-(naphthalen-2-ylamino)-1H-1,2
    Show More

    Mol. Formula:
    C21H21N5O2S

    M.W.:
    407.50

    Type:
    ---

    AlogP:
    4.43

    Polar Surface Area:
    99.77

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  9. ALA5270819

    Name:
    2,4,5-trimethyl-N-(5-(phenylamino)-1H-1,2,4-triazo
    Show More

    Mol. Formula:
    C17H19N5O2S

    M.W.:
    357.44

    Type:
    ---

    AlogP:
    3.27

    Polar Surface Area:
    99.77

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  10. ALA5270153

    Name:
    S-(4,5-dimethyl-2-(N-(5-(phenylamino)-1H-1,2,4-tri
    Show More

    Mol. Formula:
    C17H17N5O4S2

    M.W.:
    419.49

    Type:
    ---

    AlogP:
    3.74

    Polar Surface Area:
    137.07

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  11. ALA5269946

    Name:
    3-{4-[bis(4-hydroxy-2-oxo-2H-chromen-3-yl)methyl]p
    Show More

    Mol. Formula:
    C32H21N3O8S

    M.W.:
    607.60

    Type:
    ---

    AlogP:
    6.21

    Polar Surface Area:
    168.08

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  12. ALA3214394

    Name:
    SID24808427

    Mol. Formula:
    C21H22FN3O4S

    M.W.:
    431.49

    Type:
    Small molecule

    AlogP:
    2.89

    Polar Surface Area:
    94.22

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  13. ALA3214256

    Name:
    SID26661688

    Cas Number:
    347880-66-4

    Mol. Formula:
    C10H10ClN7O

    M.W.:
    279.69

    Type:
    Small molecule

    AlogP:
    0.06

    Polar Surface Area:
    111.08

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  14. ALA3213990

    Name:
    SID24832627

    Mol. Formula:
    C15H15N5OS

    M.W.:
    313.39

    Type:
    Small molecule

    AlogP:
    1.99

    Polar Surface Area:
    97.59

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  15. ALA3213629

    Name:
    SID24795799

    Mol. Formula:
    C23H25N3O4S

    M.W.:
    439.54

    Type:
    Small molecule

    AlogP:
    3.17

    Polar Surface Area:
    88.07

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  16. ALA3213591

    Name:
    SID26661644

    Cas Number:
    349653-16-3

    Mol. Formula:
    C10H9BrN4O

    M.W.:
    281.11

    Type:
    Small molecule

    AlogP:
    1.93

    Polar Surface Area:
    52.30

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  17. ALA3213371

    Name:
    SID26662498

    Cas Number:
    799825-83-5

    Mol. Formula:
    C15H18N4O2

    M.W.:
    286.34

    Type:
    Small molecule

    AlogP:
    1.74

    Polar Surface Area:
    68.51

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  18. ALA3213206

    Name:
    SID24786969

    Cas Number:
    343348-18-5

    Mol. Formula:
    C9H11NO3S

    M.W.:
    213.26

    Type:
    Small molecule

    AlogP:
    1.31

    Polar Surface Area:
    66.73

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  19. ALA3212635

    Name:
    SID26662384

    Mol. Formula:
    C17H16ClN3OS

    M.W.:
    345.86

    Type:
    Small molecule

    AlogP:
    4.48

    Polar Surface Area:
    44.70

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  20. ALA3212596

    Name:
    SID24831609

    Mol. Formula:
    C11H12F2N2O

    M.W.:
    226.23

    Type:
    Small molecule

    AlogP:
    1.63

    Polar Surface Area:
    24.83

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.72

    DETAILS
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