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  1. ALA4520788

    Name:
    BAY_294

    Cas Number:
    2244904-69-4

    Mol. Formula:
    C25H28N4O2S

    M.W.:
    448.59

    Type:
    Unknown

    AlogP:
    5.58

    Polar Surface Area:
    68.30

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  2. ALA4535474

    Name:
    BAY_293

    Mol. Formula:
    C25H28N4O2S

    M.W.:
    448.59

    Type:
    Unknown

    AlogP:
    5.58

    Polar Surface Area:
    68.30

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  3. ALA4530401

    Name:
    MRL_SYKi_NC

    Mol. Formula:
    C25H26F3N3O3S

    M.W.:
    505.56

    Type:
    Unknown

    AlogP:
    6.37

    Polar Surface Area:
    95.34

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  4. ALA4518706

    Name:
    PF_00911705

    Mol. Formula:
    C20H19F3N8O3S

    M.W.:
    508.49

    Type:
    Unknown

    AlogP:
    2.53

    Polar Surface Area:
    142.10

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  5. ALA4744785

    Name:
    6-(4-methoxyphenyl)-2,3-dihydrospiro[indene-1,2'-p
    Show More

    Mol. Formula:
    C20H20N2O

    M.W.:
    304.39

    Type:
    Unknown

    AlogP:
    3.64

    Polar Surface Area:
    45.05

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.92

    DETAILS
  6. ALA4744704

    Name:
    N-(1-benzoyl-1H-indol-5-yl)-5-chloro-2-hydroxybenz
    Show More

    Mol. Formula:
    C22H15ClN2O3

    M.W.:
    390.83

    Type:
    Unknown

    AlogP:
    4.94

    Polar Surface Area:
    71.33

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  7. ALA4744643

    Name:
    4-(4-(2-aminoethoxy)-2-(trifluoromethyl)benzyl)-N-
    Show More

    Mol. Formula:
    C20H25NO3

    M.W.:
    327.42

    Type:
    Unknown

    AlogP:
    4.30

    Polar Surface Area:
    58.56

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  8. ALA4740833

    Name:
    4-(4-(2-aminoethoxy)-2-(trifluoromethyl)benzyl)ani
    Show More

    Mol. Formula:
    C16H17F3N2O

    M.W.:
    310.32

    Type:
    Unknown

    AlogP:
    3.22

    Polar Surface Area:
    61.27

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  9. ALA4740590

    Name:
    4-(5-Chloro-2-hydroxybenzamido)-N,N-dimethyl-2H-in
    Show More

    Mol. Formula:
    C17H15ClN4O3

    M.W.:
    358.79

    Type:
    Unknown

    AlogP:
    3.18

    Polar Surface Area:
    87.46

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  10. ALA4765080

    Name:
    1-(4-(5-(4-fluorophenyl)-2-(4-(4-(4-fluorophenyl)-
    Show More

    Mol. Formula:
    C46H44F2N8

    M.W.:
    746.91

    Type:
    Unknown

    AlogP:
    8.92

    Polar Surface Area:
    70.32

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  11. ALA4764051

    Name:
    2-(4-(4-acetamido-3-isopropylbenzyl)-3,5-dimethylp
    Show More

    Mol. Formula:
    C22H27NO4

    M.W.:
    369.46

    Type:
    Unknown

    AlogP:
    4.44

    Polar Surface Area:
    75.63

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  12. ALA4757446

    Name:
    2-(4-(4-aminobenzyl)-3-fluorophenoxy)acetic acid

    Mol. Formula:
    C15H14FNO3

    M.W.:
    275.28

    Type:
    Unknown

    AlogP:
    2.46

    Polar Surface Area:
    72.55

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  13. ALA4756150

    Name:
    2-(4-(4-acetamido-3-isopropylbenzyl)phenoxy)acetic
    Show More

    Mol. Formula:
    C20H23NO4

    M.W.:
    341.41

    Type:
    Unknown

    AlogP:
    3.82

    Polar Surface Area:
    75.63

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  14. ALA4755796

    Name:
    6-Cyano-2-(phenylamino)-9H-purine

    Mol. Formula:
    C12H8N6

    M.W.:
    236.24

    Type:
    Unknown

    AlogP:
    1.97

    Polar Surface Area:
    90.28

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  15. ALA4755767

    Name:
    5-Chloro-2-hydroxy-N-(1-(3,4,5-trimethoxybenzoyl)-
    Show More

    Mol. Formula:
    C24H20ClN3O6

    M.W.:
    481.89

    Type:
    Unknown

    AlogP:
    4.36

    Polar Surface Area:
    111.91

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  16. ALA4779280

    Name:
    GSK872

    Cas Number:
    1346546-69-7

    Mol. Formula:
    C19H17N3O2S2

    M.W.:
    383.50

    Type:
    Unknown

    AlogP:
    4.77

    Polar Surface Area:
    71.95

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  17. ALA4778737

    Name:
    2-(4-(4-hydroxybenzyl)-3,5-dimerhylphenoxy)acetic
    Show More

    Mol. Formula:
    C17H18O4

    M.W.:
    286.33

    Type:
    Unknown

    AlogP:
    3.06

    Polar Surface Area:
    66.76

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  18. ALA4778465

    Name:
    Pacritinib

    Cas Number:
    2197126-32-0

    Mol. Formula:
    C28H32N4O3

    M.W.:
    472.59

    Type:
    Unknown

    AlogP:
    4.47

    Polar Surface Area:
    67.68

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  19. ALA4778247

    Name:
    (1R,2aS,2bR,4aS,4bR)-2b-(4,5-Dihydro-3H-pyrrol-2-y
    Show More

    Mol. Formula:
    C13H14N2

    M.W.:
    198.27

    Type:
    Unknown

    AlogP:
    2.18

    Polar Surface Area:
    36.15

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.59

    DETAILS
  20. ALA4783492

    Name:
    4-(4-chloro-2-fluorophenylamino)-6,7-dimethoxy-N-m
    Show More

    Mol. Formula:
    C19H17ClFN3O3

    M.W.:
    389.81

    Type:
    Unknown

    AlogP:
    4.15

    Polar Surface Area:
    72.48

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
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