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  1. ALA5282951

    Name:
    ethyl 4-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methy
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    Mol. Formula:
    C29H26ClN3O5S

    M.W.:
    564.06

    Type:
    ---

    AlogP:
    5.53

    Polar Surface Area:
    98.66

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  2. ALA5280219

    Name:
    methyl 4-[[2-[1-(4-chlorobenzoyl)-5-methoxy-2-meth
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    Mol. Formula:
    C28H24ClN3O5S

    M.W.:
    550.04

    Type:
    ---

    AlogP:
    5.14

    Polar Surface Area:
    98.66

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  3. ALA5279318

    Name:
    5-(4-chlorophenyl)-4-oxo-7-((((2S,3R,4R,5S,6S)-2,3
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    Mol. Formula:
    C20H19ClN4O8S

    M.W.:
    510.91

    Type:
    ---

    AlogP:
    -0.95

    Polar Surface Area:
    204.08

    HBA:
    11

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  4. ALA5278619

    Name:
    N-(2-amino-3,5-dicyano-6-oxo-4-phenyl-1-pyridyl)-2
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    Mol. Formula:
    C37H33N7O4

    M.W.:
    639.72

    Type:
    ---

    AlogP:
    5.10

    Polar Surface Area:
    159.17

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  5. ALA5278592

    Name:
    N-[2-amino-4-(4-chlorophenyl)-3,5-dicyano-6-oxo-1-
    Show More

    Mol. Formula:
    C37H32ClN7O4

    M.W.:
    674.16

    Type:
    ---

    AlogP:
    5.76

    Polar Surface Area:
    159.17

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  6. ALA5290545

    Name:
    2-[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-indol-3-
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    Mol. Formula:
    C26H21ClFN3O3S

    M.W.:
    509.99

    Type:
    ---

    AlogP:
    5.50

    Polar Surface Area:
    72.36

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  7. ALA1089841

    Name:
    (6S,7S)-3,10-Dimethoxy-6,7-dimethyl-5,6,7,8-tetrah
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    Mol. Formula:
    C20H24O7

    M.W.:
    376.41

    Type:
    Small molecule

    AlogP:
    2.68

    Polar Surface Area:
    119.61

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  8. ALA1089510

    Name:
    aR-6,7-Dihydro-6-(10-hydroxyethyl)-6-methyl-5H-dib
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    Mol. Formula:
    C18H20O7

    M.W.:
    348.35

    Type:
    Small molecule

    AlogP:
    2.07

    Polar Surface Area:
    141.61

    HBA:
    7

    HBD:
    7

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  9. ALA1092320

    Name:
    angeloylgomisin H

    Cas Number:
    66056-22-2

    Mol. Formula:
    C28H36O8

    M.W.:
    500.59

    Type:
    Small molecule

    AlogP:
    4.75

    Polar Surface Area:
    92.68

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  10. ALA1095094

    Name:
    (2R*,3S*,4R*,6S*)-2-(4-Bromophenyl)tetrahydro-3,4-
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    Mol. Formula:
    C25H22BrNO2S

    M.W.:
    480.43

    Type:
    Small molecule

    AlogP:
    6.16

    Polar Surface Area:
    53.25

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  11. ALA1096725

    Name:
    (2R*,3S*,4R*,6S*)-2-(4-Bromophenyl)-6-((ethylthio)
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    Mol. Formula:
    C26H27BrO2S

    M.W.:
    483.47

    Type:
    Small molecule

    AlogP:
    6.70

    Polar Surface Area:
    29.46

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  12. ALA1094412

    Name:
    (2R*,3S*,4R*,6S*)-Tetrahydro-2,3,4-triphenyl-6-(th
    Show More

    Mol. Formula:
    C25H23NO2S

    M.W.:
    401.53

    Type:
    Small molecule

    AlogP:
    5.40

    Polar Surface Area:
    53.25

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  13. ALA1094097

    Name:
    (2R*,3S*,4R*,6S*)-6-((Ethylthio)methyl)tetrahydro-
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    Mol. Formula:
    C26H28O2S

    M.W.:
    404.58

    Type:
    Small molecule

    AlogP:
    5.94

    Polar Surface Area:
    29.46

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  14. ALA1094096

    Name:
    (2R*,4R*,6S*)-2-(4-Bromophenyl)tetrahydro-4-phenyl
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    Mol. Formula:
    C19H18BrNO2S

    M.W.:
    404.33

    Type:
    Small molecule

    AlogP:
    4.77

    Polar Surface Area:
    53.25

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  15. ALA1095084

    Name:
    (2R*,4R*,6S*)-2-(4-Bromophenyl)-6-((ethylthio)meth
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    Mol. Formula:
    C20H23BrO2S

    M.W.:
    407.37

    Type:
    Small molecule

    AlogP:
    5.31

    Polar Surface Area:
    29.46

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  16. ALA1095082

    Name:
    (2R*,4R*,6S*)-2-(4-Chlorophenyl)-6-((ethylthio)met
    Show More

    Mol. Formula:
    C20H23ClO2S

    M.W.:
    362.92

    Type:
    Small molecule

    AlogP:
    5.20

    Polar Surface Area:
    29.46

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  17. ALA1096036

    Name:
    (2R*,4R*,6S*)-Tetrahydro-2,4-diphenyl-6-(thiocyana
    Show More

    Mol. Formula:
    C19H19NO2S

    M.W.:
    325.43

    Type:
    Small molecule

    AlogP:
    4.01

    Polar Surface Area:
    53.25

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  18. ALA1096384

    Name:
    (2S*,4R*,6R*)-2-((Ethylthio)methyl)tetrahydro-4,6-
    Show More

    Mol. Formula:
    C20H24O2S

    M.W.:
    328.48

    Type:
    Small molecule

    AlogP:
    4.55

    Polar Surface Area:
    29.46

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  19. ALA1096383

    Name:
    (2S*,4R*,6S*)-Tetrahydro-2-methyl-4-phenyl-6-(thio
    Show More

    Mol. Formula:
    C14H17NO2S

    M.W.:
    263.36

    Type:
    Small molecule

    AlogP:
    2.66

    Polar Surface Area:
    53.25

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  20. ALA1096320

    Name:
    (2S*,4R*,6S*)-2-((Ethylthio)methyl)tetrahydro-6-me
    Show More

    Mol. Formula:
    C15H22O2S

    M.W.:
    266.41

    Type:
    Small molecule

    AlogP:
    3.19

    Polar Surface Area:
    29.46

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
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