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  1. ALA4879076

    Name:
    (2S,5R)-Methyl 2-(hydroxycarbamoyl)-3,3-dimethyl-7
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    Mol. Formula:
    C12H14N4O6S

    M.W.:
    342.33

    Type:
    Unknown

    AlogP:
    -0.25

    Polar Surface Area:
    129.89

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  2. ALA4878900

    Name:
    (1'R,6R)-Spiro[penicillanic-6,1'-(2-benzoyl-3-benz
    Show More

    Mol. Formula:
    C27H25NO7S

    M.W.:
    507.56

    Type:
    Unknown

    AlogP:
    3.42

    Polar Surface Area:
    110.21

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  3. ALA4875541

    Name:
    Benzhydryl spiro[penicillanate-6,5'-(4-benzoyl-3-b
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    Mol. Formula:
    C38H33N3O6S

    M.W.:
    659.76

    Type:
    Unknown

    AlogP:
    5.32

    Polar Surface Area:
    114.37

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  4. ALA4875160

    Name:
    Benzhydryl spiro[penicillanate-6,3'-(5-ethoxycarbo
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    Mol. Formula:
    C26H25N3O5S

    M.W.:
    491.57

    Type:
    Unknown

    AlogP:
    4.03

    Polar Surface Area:
    97.63

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  5. ALA4874585

    Name:
    (1'R,6R)-Methyl spiro[penicillanate-6,1'-(2-benzoy
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    Mol. Formula:
    C28H27NO6S

    M.W.:
    505.59

    Type:
    Unknown

    AlogP:
    3.78

    Polar Surface Area:
    89.98

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  6. ALA4872463

    Name:
    (1'R,6R)-Benzhydryl spiro[penicillanate-6,1'-(2-be
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    Mol. Formula:
    C34H31NO6S

    M.W.:
    581.69

    Type:
    Unknown

    AlogP:
    5.37

    Polar Surface Area:
    89.98

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  7. ALA4870208

    Name:
    (1'R,6R)-Benzhydryl spiro[penicillanate-6,1'-(2,3-
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    Mol. Formula:
    C41H37NO7S

    M.W.:
    687.81

    Type:
    Unknown

    AlogP:
    6.80

    Polar Surface Area:
    99.21

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  8. ALA4867242

    Name:
    Benzhydryl spiro[penicillanate-6,3'-(5-benzhydrylo
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    Mol. Formula:
    C37H31N3O5S

    M.W.:
    629.74

    Type:
    Unknown

    AlogP:
    6.80

    Polar Surface Area:
    97.63

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  9. ALA4867240

    Name:
    Benzhydryl spiro[penicillanate-6,3'(4,5-dibenzhydr
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    Mol. Formula:
    C51H41N3O7S

    M.W.:
    839.97

    Type:
    Unknown

    AlogP:
    9.51

    Polar Surface Area:
    123.93

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  10. ALA4865945

    Name:
    Spiro[penicillanic-6,3'(5-ethoxycarbonyl-3H-pyrazo
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    Mol. Formula:
    C13H15N3O5S

    M.W.:
    325.35

    Type:
    Unknown

    AlogP:
    0.78

    Polar Surface Area:
    108.63

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  11. ALA4863153

    Name:
    (1'R,6R)-Benzhydiyl spiro[penicillanate-6,1'-(2-be
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    Mol. Formula:
    C35H33NO6S

    M.W.:
    595.72

    Type:
    Unknown

    AlogP:
    5.76

    Polar Surface Area:
    89.98

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  12. ALA4858985

    Name:
    Methyl spiro[penicillanate-6,3'-(5-methoxycarbonyl
    Show More

    Mol. Formula:
    C13H15N3O5S

    M.W.:
    325.35

    Type:
    Unknown

    AlogP:
    0.48

    Polar Surface Area:
    97.63

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  13. ALA4857903

    Name:
    Spiro[penicillanic-6,3'-(5-tert-butoxycarbonyl-3H-
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    Mol. Formula:
    C15H19N3O5S

    M.W.:
    353.40

    Type:
    Unknown

    AlogP:
    1.56

    Polar Surface Area:
    108.63

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  14. ALA4857339

    Name:
    (1'R,6R)-Benzhydryl spiro[penicillanate-6,1'-(2-be
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    Mol. Formula:
    C37H37NO6S

    M.W.:
    623.77

    Type:
    Unknown

    AlogP:
    6.54

    Polar Surface Area:
    89.98

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  15. ALA4857287

    Name:
    (1'R,6R)-Benzhydrylspiro[penicillanate-6,1'-(2-ben
    Show More

    Mol. Formula:
    C34H31NO6S

    M.W.:
    581.69

    Type:
    Unknown

    AlogP:
    5.37

    Polar Surface Area:
    89.98

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  16. ALA4861134

    Name:
    (1'R,6R)-Benzhydryl spiro[penicillanate-6,1'-(2-be
    Show More

    Mol. Formula:
    C37H37NO6S

    M.W.:
    623.77

    Type:
    Unknown

    AlogP:
    6.54

    Polar Surface Area:
    89.98

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  17. ALA4860940

    Name:
    (1'R,6R)-Sodium spiro[penicillanate-6,1'-(2-benzoy
    Show More

    Mol. Formula:
    C27H24NNaO6S

    M.W.:
    513.55

    Type:
    Unknown

    AlogP:
    3.69

    Polar Surface Area:
    100.98

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  18. ALA4848811

    Name:
    Benzhydryl spiro[penicillanate-6,3'-(5-(2-naphthox
    Show More

    Mol. Formula:
    C34H27N3O5S

    M.W.:
    589.67

    Type:
    Unknown

    AlogP:
    6.23

    Polar Surface Area:
    97.63

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  19. ALA4868227

    Name:
    Spiro[penicillanic-6,3'-(5-hydroxycarbonyl-3H-pyra
    Show More

    Mol. Formula:
    C11H11N3O5S

    M.W.:
    297.29

    Type:
    Unknown

    AlogP:
    0.31

    Polar Surface Area:
    119.63

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  20. ALA4546070

    Name:
    1-(3,5-Dimethylphenyl)-6-methyl-1H-pyrazolo[4,3-c]
    Show More

    Mol. Formula:
    C15H15N3O

    M.W.:
    253.31

    Type:
    Unknown

    AlogP:
    2.64

    Polar Surface Area:
    50.68

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.72

    DETAILS
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