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  1. ALA2272008

    Name:
    rac-O-methyl-O-ethyl-O-3,5,6-trichloro-2-pyridyl p
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    Mol. Formula:
    C8H9Cl3NO3PS

    M.W.:
    336.56

    Type:
    Small molecule

    AlogP:
    4.33

    Polar Surface Area:
    40.58

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  2. ALA2271726

    Name:
    swietemahonin G

    Mol. Formula:
    C32H40O10

    M.W.:
    584.66

    Type:
    Small molecule

    AlogP:
    3.92

    Polar Surface Area:
    141.87

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  3. ALA2269051

    Name:
    bis(4-hydroxyphenyl)methanol

    Cas Number:
    69552-26-7

    Mol. Formula:
    C13H12O3

    M.W.:
    216.24

    Type:
    Small molecule

    AlogP:
    2.18

    Polar Surface Area:
    60.69

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  4. ALA2229885

    Name:
    N4,N5-dibutyl-3-((4-chlorophenylsulfonyl)methyl)is
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    Mol. Formula:
    C20H26ClN3O5S

    M.W.:
    455.96

    Type:
    Small molecule

    AlogP:
    3.36

    Polar Surface Area:
    118.37

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  5. ALA2229884

    Name:
    N4,N5-diallyl-3-(phenylsulfonylmethyl)isoxazole-4,
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    Mol. Formula:
    C18H19N3O5S

    M.W.:
    389.43

    Type:
    Small molecule

    AlogP:
    1.48

    Polar Surface Area:
    118.37

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  6. ALA2229883

    Name:
    3-(phenylsulfonylmethyl)-N4,N5-dipropylisoxazole-4
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    Mol. Formula:
    C18H23N3O5S

    M.W.:
    393.47

    Type:
    Small molecule

    AlogP:
    1.93

    Polar Surface Area:
    118.37

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  7. ALA2229882

    Name:
    N4,N5-diisopropyl-3-(phenylsulfonylmethyl)isoxazol
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    Mol. Formula:
    C18H23N3O5S

    M.W.:
    393.47

    Type:
    Small molecule

    AlogP:
    1.92

    Polar Surface Area:
    118.37

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  8. ALA2229881

    Name:
    N4,N5-dibutyl-3-(phenylsulfonylmethyl)isoxazole-4,
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    Mol. Formula:
    C20H27N3O5S

    M.W.:
    421.52

    Type:
    Small molecule

    AlogP:
    2.71

    Polar Surface Area:
    118.37

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  9. ALA2229876

    Name:
    3-((4-chlorophenylthio)methyl)-N4,N5-bis(2-methoxy
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    Mol. Formula:
    C18H22ClN3O5S

    M.W.:
    427.91

    Type:
    Small molecule

    AlogP:
    2.37

    Polar Surface Area:
    102.69

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  10. ALA2229745

    Name:
    N5-benzyl-N4-butyl-3-((4-chlorophenylsulfonyl)meth
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    Mol. Formula:
    C23H24ClN3O5S

    M.W.:
    489.98

    Type:
    Small molecule

    AlogP:
    3.76

    Polar Surface Area:
    118.37

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  11. ALA2229744

    Name:
    N5-benzyl-3-((4-chlorophenylsulfonyl)methyl)-N4-pr
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    Mol. Formula:
    C22H22ClN3O5S

    M.W.:
    475.95

    Type:
    Small molecule

    AlogP:
    3.37

    Polar Surface Area:
    118.37

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  12. ALA2229743

    Name:
    N4-allyl-N5-benzyl-3-((4-chlorophenylsulfonyl)meth
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    Mol. Formula:
    C22H20ClN3O5S

    M.W.:
    473.94

    Type:
    Small molecule

    AlogP:
    3.15

    Polar Surface Area:
    118.37

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  13. ALA2229742

    Name:
    N5-benzyl-3-((4-chlorophenylsulfonyl)methyl)-N4-(2
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    Mol. Formula:
    C22H22ClN3O6S

    M.W.:
    491.95

    Type:
    Small molecule

    AlogP:
    2.61

    Polar Surface Area:
    127.60

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  14. ALA2229741

    Name:
    N5-benzyl-3-(phenylsulfonylmethyl)-N4-propylisoxaz
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    Mol. Formula:
    C22H23N3O5S

    M.W.:
    441.51

    Type:
    Small molecule

    AlogP:
    2.72

    Polar Surface Area:
    118.37

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  15. ALA2229740

    Name:
    3-((4-chlorophenylsulfonyl)methyl)-N4,N5-diisoprop
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    Mol. Formula:
    C18H22ClN3O5S

    M.W.:
    427.91

    Type:
    Small molecule

    AlogP:
    2.58

    Polar Surface Area:
    118.37

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  16. ALA2229739

    Name:
    3-((4-chlorophenylsulfonyl)methyl)-N4,N5-dipropyli
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    Mol. Formula:
    C18H22ClN3O5S

    M.W.:
    427.91

    Type:
    Small molecule

    AlogP:
    2.58

    Polar Surface Area:
    118.37

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  17. ALA2227700

    Name:
    N4,N5-bis(2-methoxyethyl)-3-(phenylsulfonylmethyl)
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    Mol. Formula:
    C18H23N3O7S

    M.W.:
    425.46

    Type:
    Small molecule

    AlogP:
    0.40

    Polar Surface Area:
    136.83

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  18. ALA2229738

    Name:
    N4,N5-diallyl-3-((4-chlorophenylsulfonyl)methyl)is
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    Mol. Formula:
    C18H18ClN3O5S

    M.W.:
    423.88

    Type:
    Small molecule

    AlogP:
    2.13

    Polar Surface Area:
    118.37

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  19. ALA2229737

    Name:
    3-((4-chlorophenylsulfonyl)methyl)-N4,N5-bis(2-met
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    Mol. Formula:
    C18H22ClN3O7S

    M.W.:
    459.91

    Type:
    Small molecule

    AlogP:
    1.05

    Polar Surface Area:
    136.83

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  20. ALA515719

    Name:
    beta-Aflatrem

    Mol. Formula:
    C32H39NO4

    M.W.:
    501.67

    Type:
    Small molecule

    AlogP:
    5.79

    Polar Surface Area:
    71.55

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
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