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  1. ALA4878062

    Name:
    (3aS,9aR,10aS,10bS,E)-9a-Methyl-3-methylene-2-oxo-
    Show More

    Mol. Formula:
    C25H25NO5

    M.W.:
    419.48

    Type:
    Unknown

    AlogP:
    4.15

    Polar Surface Area:
    78.02

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  2. ALA4878027

    Name:
    4-(3-(2-(4-chlorophenylamino)-4-(dimethylamino)thi
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    Mol. Formula:
    C23H23BClN3O5S

    M.W.:
    499.79

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA4875150

    Name:
    ((3aS,9aR,10aS,10bS,E)-9a-Methyl-3-methylene-2-oxo
    Show More

    Mol. Formula:
    C25H24BrNO5

    M.W.:
    498.37

    Type:
    Unknown

    AlogP:
    4.91

    Polar Surface Area:
    78.02

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  4. ALA5286069

    Name:
    Micheliolide

    Mol. Formula:
    C15H20O3

    M.W.:
    248.32

    Type:
    ---

    AlogP:
    2.36

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.41

    DETAILS
  5. ALA4866241

    Name:
    4-(3-ethoxy-2-(2-(4-fluorophenylamino)-4-phenylthi
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    Mol. Formula:
    C27H22BFN2O5S

    M.W.:
    516.36

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA5288302

    Name:
    1-butyl-2-(3-(1-butyl-5,6-dichloro-3-pentyl-1H-ben
    Show More

    Mol. Formula:
    C35H48Cl4N4

    M.W.:
    666.61

    Type:
    ---

    AlogP:
    11.96

    Polar Surface Area:
    12.96

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  7. ALA4859336

    Name:
    4-(3-(4-(dimethylamino)-2-(phenylamino)thiazol-5-y
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    Mol. Formula:
    C23H24BN3O5S

    M.W.:
    465.34

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA1089962

    Name:
    fructose-1,6-bis-phosphate

    Mol. Formula:
    C6H14O12P2

    M.W.:
    340.11

    Type:
    Small molecule

    AlogP:
    -2.99

    Polar Surface Area:
    203.44

    HBA:
    8

    HBD:
    7

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  9. ALA1091760

    Name:
    3-(4-(2,6-difluoro-4-methoxyphenylsulfonyl)piperaz
    Show More

    Mol. Formula:
    C17H19F2N3O5S2

    M.W.:
    447.49

    Type:
    Small molecule

    AlogP:
    1.25

    Polar Surface Area:
    110.01

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  10. ALA1088762

    Name:
    1-(2,3-dihydrobenzo[b][1,4]dioxin-6-ylsulfonyl)-4-
    Show More

    Cas Number:
    562867-96-3

    Mol. Formula:
    C19H22N2O7S2

    M.W.:
    454.53

    Type:
    Small molecule

    AlogP:
    1.16

    Polar Surface Area:
    102.45

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  11. ALA1082815

    Name:
    2-Methylsulfinyl-4-methyl-6-[(3-hydroxyphenyl)meth
    Show More

    Cas Number:
    1222535-34-3

    Mol. Formula:
    C17H15N3O3S2

    M.W.:
    373.46

    Type:
    Small molecule

    AlogP:
    2.44

    Polar Surface Area:
    83.11

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  12. ALA4868167

    Name:
    4-(3-(4-(dimethylamino)-2-(4-methoxyphenylamino)th
    Show More

    Mol. Formula:
    C24H26BN3O6S

    M.W.:
    495.37

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA1604678

    Name:
    SID49640969

    Cas Number:
    612049-72-6

    Mol. Formula:
    C18H20N2O2

    M.W.:
    296.37

    Type:
    Small molecule

    AlogP:
    4.03

    Polar Surface Area:
    36.28

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  14. ALA1604603

    Name:
    SID7976598

    Mol. Formula:
    C19H21NO3

    M.W.:
    311.38

    Type:
    Small molecule

    AlogP:
    3.15

    Polar Surface Area:
    66.40

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  15. ALA1604544

    Name:
    SID24803082

    Cas Number:
    342779-24-2

    Mol. Formula:
    C12H14N2O4S4

    M.W.:
    378.52

    Type:
    Small molecule

    AlogP:
    1.50

    Polar Surface Area:
    74.76

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  16. ALA1604456

    Name:
    SID24791136

    Mol. Formula:
    C12H11FN2O2S

    M.W.:
    266.30

    Type:
    Small molecule

    AlogP:
    3.44

    Polar Surface Area:
    51.22

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  17. ALA1604258

    Name:
    SID843998

    Mol. Formula:
    C21H20N4O6S2

    M.W.:
    488.55

    Type:
    Small molecule

    AlogP:
    2.21

    Polar Surface Area:
    134.97

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  18. ALA1604032

    Name:
    SID24796667

    Mol. Formula:
    C18H20N2OS

    M.W.:
    312.44

    Type:
    Small molecule

    AlogP:
    4.71

    Polar Surface Area:
    33.29

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  19. ALA1603741

    Name:
    SID47200386

    Mol. Formula:
    C16H29NO2

    M.W.:
    267.41

    Type:
    Small molecule

    AlogP:
    3.23

    Polar Surface Area:
    29.54

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  20. ALA1603542

    Name:
    SID4249415

    Mol. Formula:
    C24H22N4O3S

    M.W.:
    446.53

    Type:
    Small molecule

    AlogP:
    3.66

    Polar Surface Area:
    74.48

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
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