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  1. ALA4514738

    Name:
    pregnane-3beta,5alpha,6beta,8beta,12beta,14beta,17
    Show More

    Mol. Formula:
    C32H44O9

    M.W.:
    572.70

    Type:
    Unknown

    AlogP:
    1.61

    Polar Surface Area:
    167.91

    HBA:
    9

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  2. ALA4514288

    Name:
    3,4-Dihydro-3'-(4-isopropylphenylsulfonyl)spiro[im
    Show More

    Mol. Formula:
    C21H22N2O4S

    M.W.:
    398.48

    Type:
    Unknown

    AlogP:
    3.28

    Polar Surface Area:
    83.55

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  3. ALA4474168

    Name:
    3,4-Dihydro-1'-(4-methylphenylsulfonyl)spiro[imida
    Show More

    Mol. Formula:
    C19H18N2O4S

    M.W.:
    370.43

    Type:
    Unknown

    AlogP:
    2.47

    Polar Surface Area:
    83.55

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  4. ALA4539238

    Name:
    3,4-Dihydro-1'-(4-acetylphenylsulfonyl)spiro[imida
    Show More

    Mol. Formula:
    C20H18N2O5S

    M.W.:
    398.44

    Type:
    Unknown

    AlogP:
    2.36

    Polar Surface Area:
    100.62

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  5. ALA4520640

    Name:
    3,4-Dihydro-1'-(4-nitrophenylsulfonyl)spiro[imidaz
    Show More

    Mol. Formula:
    C18H15N3O6S

    M.W.:
    401.40

    Type:
    Unknown

    AlogP:
    2.07

    Polar Surface Area:
    126.69

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  6. ALA4532536

    Name:
    3,4-Dihydro-3'-(4-methylphenylsulfonyl)spiro[imida
    Show More

    Mol. Formula:
    C19H18N2O4S

    M.W.:
    370.43

    Type:
    Unknown

    AlogP:
    2.47

    Polar Surface Area:
    83.55

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  7. ALA4560452

    Name:
    3,4-Dihydro-3'-(4-methoxyphenylsulfonyl)spiro[imid
    Show More

    Mol. Formula:
    C19H18N2O5S

    M.W.:
    386.43

    Type:
    Unknown

    AlogP:
    2.17

    Polar Surface Area:
    92.78

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  8. ALA4515034

    Name:
    3,4-Dihydro-3'-(4-nitrophenylsulfonyl)spiro[imidaz
    Show More

    Mol. Formula:
    C18H15N3O6S

    M.W.:
    401.40

    Type:
    Unknown

    AlogP:
    2.07

    Polar Surface Area:
    126.69

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  9. ALA4580334

    Name:
    pregnane-3beta,5alpha,6beta,8beta,12beta,14beta,17
    Show More

    Mol. Formula:
    C38H54O12

    M.W.:
    702.84

    Type:
    Unknown

    AlogP:
    1.49

    Polar Surface Area:
    206.60

    HBA:
    12

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  10. ALA4578754

    Name:
    3,4-Dihydro-3'-(4-bromophenylsulfonyl)spiro[imidaz
    Show More

    Mol. Formula:
    C18H15BrN2O4S

    M.W.:
    435.30

    Type:
    Unknown

    AlogP:
    2.92

    Polar Surface Area:
    83.55

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  11. ALA4577996

    Name:
    3,4-Dihydro-1'-(4-bromophenylsulfonyl)spiro[imidaz
    Show More

    Mol. Formula:
    C18H15BrN2O4S

    M.W.:
    435.30

    Type:
    Unknown

    AlogP:
    2.92

    Polar Surface Area:
    83.55

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  12. ALA4462586

    Name:
    3,4-Dihydro-1'-(4-chlororophenylsulfonyl)spiro[imi
    Show More

    Mol. Formula:
    C18H15ClN2O4S

    M.W.:
    390.85

    Type:
    Unknown

    AlogP:
    2.81

    Polar Surface Area:
    83.55

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  13. ALA4098564

    Name:
    4-Deacetyl-4-propionyloxy-6,7-dihydrovindoline

    Mol. Formula:
    C26H36N2O6

    M.W.:
    472.58

    Type:
    Small molecule

    AlogP:
    2.26

    Polar Surface Area:
    88.54

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  14. ALA4097901

    Name:
    3-Demethoxycarbonyl-3-(acetylamino)methyl vindolin
    Show More

    Mol. Formula:
    C26H35N3O5

    M.W.:
    469.58

    Type:
    Small molecule

    AlogP:
    1.60

    Polar Surface Area:
    91.34

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  15. ALA4096956

    Name:
    3-Demethoxycarbonyl-3-(propionylamino)methyl-4-dea
    Show More

    Mol. Formula:
    C29H41N3O5

    M.W.:
    511.66

    Type:
    Small molecule

    AlogP:
    2.63

    Polar Surface Area:
    91.34

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  16. ALA4100361

    Name:
    3-Demethoxycarbonyl-3-ethoxymethyl-4-deacetyl-4-is
    Show More

    Mol. Formula:
    C28H40N2O5

    M.W.:
    484.64

    Type:
    Small molecule

    AlogP:
    3.14

    Polar Surface Area:
    71.47

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  17. ALA4099488

    Name:
    3-Demethoxycarbonyl-3-(propionyloxy)methyl vindoli
    Show More

    Mol. Formula:
    C27H36N2O6

    M.W.:
    484.59

    Type:
    Small molecule

    AlogP:
    2.42

    Polar Surface Area:
    88.54

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  18. ALA4090843

    Name:
    4-Deacetyl-4-methoxyl vindoline

    Mol. Formula:
    C24H32N2O5

    M.W.:
    428.53

    Type:
    Small molecule

    AlogP:
    1.72

    Polar Surface Area:
    71.47

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  19. ALA4089387

    Name:
    4-Deacetyl-4-isobutyryloxyl vindoline

    Mol. Formula:
    C27H36N2O6

    M.W.:
    484.59

    Type:
    Small molecule

    AlogP:
    2.28

    Polar Surface Area:
    88.54

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  20. ALA4087504

    Name:
    3-Demethoxycarbonyl-3-(isobutyryloxy)methyl vindol
    Show More

    Mol. Formula:
    C28H38N2O6

    M.W.:
    498.62

    Type:
    Small molecule

    AlogP:
    2.67

    Polar Surface Area:
    88.54

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
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