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  1. ALA4546645

    Name:
    4,5-bis(4-fluorophenyl)-2-(((4-(4-(4-fluorophenyl)
    Show More

    Mol. Formula:
    C30H19F3N4O3S

    M.W.:
    572.57

    Type:
    Unknown

    AlogP:
    6.65

    Polar Surface Area:
    90.88

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  2. ALA4756542

    Name:
    N-(2-fluorophenyl)sulfonyl-2-methoxy-5-[(1-methyl-
    Show More

    Mol. Formula:
    C24H20FN3O6S

    M.W.:
    497.50

    Type:
    Unknown

    AlogP:
    3.94

    Polar Surface Area:
    120.54

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  3. ALA4541119

    Name:
    2-(((4-(4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl)p
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    Mol. Formula:
    C30H21FN4O2S

    M.W.:
    520.59

    Type:
    Unknown

    AlogP:
    6.70

    Polar Surface Area:
    79.80

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  4. ALA5206961

    Name:
    5-((1-butyl-5-nitro-1H-indol-3-yl)methyl)-2-methox
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    Mol. Formula:
    C27H26N4O8S

    M.W.:
    566.59

    Type:
    ---

    AlogP:
    4.98

    Polar Surface Area:
    163.68

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  5. ALA5205318

    Name:
    2-methoxy-5-((5-nitro-1-propyl-1H-indol-3-yl)methy
    Show More

    Mol. Formula:
    C26H24N4O8S

    M.W.:
    552.57

    Type:
    ---

    AlogP:
    4.59

    Polar Surface Area:
    163.68

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  6. ALA5203389

    Name:
    N-(2,6-difluorophenylsulfonyl)-2-methoxy-5-((1-met
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    Mol. Formula:
    C24H19F2N3O6S

    M.W.:
    515.49

    Type:
    ---

    AlogP:
    4.08

    Polar Surface Area:
    120.54

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  7. ALA5202738

    Name:
    N-(2-bromophenylsulfonyl)-2-methoxy-5-((1-methyl-5
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    Mol. Formula:
    C24H20BrN3O6S

    M.W.:
    558.41

    Type:
    ---

    AlogP:
    4.57

    Polar Surface Area:
    120.54

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  8. ALA5194419

    Name:
    5-((1-ethyl-5-nitro-1H-indol-3-yl)methyl)-2-methox
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    Mol. Formula:
    C25H22N4O8S

    M.W.:
    538.54

    Type:
    ---

    AlogP:
    4.20

    Polar Surface Area:
    163.68

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  9. ALA5185645

    Name:
    5-((1-isobutyl-5-nitro-1H-indol-3-yl)methyl)-2-met
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    Mol. Formula:
    C27H26N4O8S

    M.W.:
    566.59

    Type:
    ---

    AlogP:
    4.83

    Polar Surface Area:
    163.68

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  10. ALA5181806

    Name:

    Mol. Formula:
    C20H14N2O7

    M.W.:
    394.34

    Type:
    ---

    AlogP:
    2.72

    Polar Surface Area:
    109.16

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  11. ALA5176274

    Name:
    N-(2-chlorophenylsulfonyl)-2-methoxy-5-((1-methyl-
    Show More

    Mol. Formula:
    C24H20ClN3O6S

    M.W.:
    513.96

    Type:
    ---

    AlogP:
    4.46

    Polar Surface Area:
    120.54

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  12. ALA5170709

    Name:

    Mol. Formula:
    C20H16N2O8

    M.W.:
    412.35

    Type:
    ---

    AlogP:
    2.71

    Polar Surface Area:
    118.39

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  13. ALA4754614

    Name:
    N-(4-fluorophenyl)sulfonyl-5-(1H-indol-3-ylmethyl)
    Show More

    Mol. Formula:
    C23H19FN2O4S

    M.W.:
    438.48

    Type:
    Unknown

    AlogP:
    4.03

    Polar Surface Area:
    88.26

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  14. ALA4752352

    Name:
    2-methoxy-5-[(1-methylindol-3-yl)methyl]-N-(4-nitr
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    Mol. Formula:
    C24H21N3O6S

    M.W.:
    479.51

    Type:
    Unknown

    AlogP:
    3.80

    Polar Surface Area:
    120.54

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  15. ALA4794351

    Name:
    Kolaflavanone

    Cas Number:
    68705-66-8

    Mol. Formula:
    C31H24O12

    M.W.:
    588.52

    Type:
    Unknown

    AlogP:
    3.71

    Polar Surface Area:
    203.44

    HBA:
    12

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  16. ALA4792638

    Name:
    gamma,delta-Bi-O-garcinoic acid

    Mol. Formula:
    C55H76O8

    M.W.:
    865.20

    Type:
    Unknown

    AlogP:
    14.81

    Polar Surface Area:
    122.52

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    22

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  17. ALA4559650

    Name:
    2-(((4-(4-(4-pentylphenyl)-1H-1,2,3-triazol-1-yl)p
    Show More

    Mol. Formula:
    C35H32N4O3S

    M.W.:
    588.73

    Type:
    Unknown

    AlogP:
    7.96

    Polar Surface Area:
    90.88

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  18. ALA4557444

    Name:
    6-(1-(2-(4,5-diphenyloxazol-2-yl)phenyl)-1H-1,2,3-
    Show More

    Mol. Formula:
    C38H25F2N9O

    M.W.:
    661.68

    Type:
    Unknown

    AlogP:
    8.87

    Polar Surface Area:
    119.47

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  19. ALA4557303

    Name:
    6-(1-(3-(4,5-bis(4-methoxyphenyl)oxazol-2-yl)pheny
    Show More

    Mol. Formula:
    C36H39N9O3

    M.W.:
    645.77

    Type:
    Unknown

    AlogP:
    6.82

    Polar Surface Area:
    120.35

    HBA:
    12

    HBD:
    ---

    #RO5 Violations:
    3

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  20. ALA4556582

    Name:
    6-(1-(4-(4,5-bis(4-chlorophenyl)oxazol-2-yl)phenyl
    Show More

    Mol. Formula:
    C38H23Cl2F2N9O

    M.W.:
    730.57

    Type:
    Unknown

    AlogP:
    10.18

    Polar Surface Area:
    119.47

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
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