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  1. ALA4540759

    Name:
    BI_0054

    Mol. Formula:
    C18H21F3N4O2

    M.W.:
    382.39

    Type:
    Unknown

    AlogP:
    2.12

    Polar Surface Area:
    73.80

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  2. ALA4539943

    Name:
    BAY_694

    Mol. Formula:
    C28H31N3O6

    M.W.:
    505.57

    Type:
    Unknown

    AlogP:
    3.60

    Polar Surface Area:
    120.61

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  3. ALA4539555

    Name:
    BI_9307

    Mol. Formula:
    C23H23FN6O5S2

    M.W.:
    546.61

    Type:
    Unknown

    AlogP:
    1.77

    Polar Surface Area:
    153.01

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  4. ALA4538174

    Name:
    ERKi

    Mol. Formula:
    C16H17N5O2

    M.W.:
    311.35

    Type:
    Unknown

    AlogP:
    2.33

    Polar Surface Area:
    102.93

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  5. ALA4521167

    Name:
    (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-
    Show More

    Mol. Formula:
    C142H233N33O30S

    M.W.:
    2914.69

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. Type:
    Unknown

    AlogP:
    2.54

    Polar Surface Area:
    36.67

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  7. ALA4520231

    Name:
    1-ethyl-7-phenoxy-1,3-dihydro-2H-benzo[d]imidazol-
    Show More

    Mol. Formula:
    C15H14N2O2

    M.W.:
    254.29

    Type:
    Unknown

    AlogP:
    3.14

    Polar Surface Area:
    47.02

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  8. ALA4534980

    Name:
    (S)_ZINC_3573

    Cas Number:
    2095596-11-3

    Mol. Formula:
    C18H21N5

    M.W.:
    307.40

    Type:
    Unknown

    AlogP:
    2.54

    Polar Surface Area:
    36.67

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  9. ALA4534898

    Name:
    (2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-
    Show More

    Mol. Formula:
    C108H187N35O22

    M.W.:
    2327.91

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA4533479

    Name:
    A_1806262

    Mol. Formula:
    C33H38N2O6

    M.W.:
    558.68

    Type:
    Unknown

    AlogP:
    5.81

    Polar Surface Area:
    97.33

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  11. ALA4533008

    Name:
    A-769

    Mol. Formula:
    C18H21N5S

    M.W.:
    339.47

    Type:
    Unknown

    AlogP:
    3.00

    Polar Surface Area:
    48.05

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  12. ALA4531334

    Name:
    T3_CLK

    Cas Number:
    2109805-56-1

    Mol. Formula:
    C28H30N6O2

    M.W.:
    482.59

    Type:
    Unknown

    AlogP:
    3.70

    Polar Surface Area:
    82.84

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  13. ALA4531220

    Name:
    BI_3047

    Mol. Formula:
    C23H25F4N3O4S

    M.W.:
    515.53

    Type:
    Unknown

    AlogP:
    3.80

    Polar Surface Area:
    126.14

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  14. ALA4530881

    Name:
    (2S,5S,8S,11S,14S,17S,20S)-5-((1H-imidazol-5-yl)me
    Show More

    Mol. Formula:
    C130H211N47O29S

    M.W.:
    2928.48

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA4560589

    Name:
    MLi_2_NC

    Mol. Formula:
    C22H27N5O2

    M.W.:
    393.49

    Type:
    Unknown

    AlogP:
    3.58

    Polar Surface Area:
    65.30

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  16. ALA4560241

    Name:
    BI_0153

    Mol. Formula:
    C22H22N8O2

    M.W.:
    430.47

    Type:
    Unknown

    AlogP:
    2.14

    Polar Surface Area:
    128.85

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  17. ALA4558925

    Name:
    (2S,5S,8S,11S,14S,17S,20S)-5-((1H-imidazol-5-yl)me
    Show More

    Mol. Formula:
    C144H234N48O37S

    M.W.:
    3261.82

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  18. ALA4557026

    Name:
    ERKi_NC

    Mol. Formula:
    C15H16N6O2

    M.W.:
    312.33

    Type:
    Unknown

    AlogP:
    1.73

    Polar Surface Area:
    115.82

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  19. ALA4552554

    Name:
    PF_04475866

    Mol. Formula:
    C18H15BrFNO4

    M.W.:
    408.22

    Type:
    Unknown

    AlogP:
    3.19

    Polar Surface Area:
    66.84

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  20. ALA4552180

    Name:
    BAY_588

    Mol. Formula:
    C27H25F4N5O2

    M.W.:
    527.52

    Type:
    Unknown

    AlogP:
    5.59

    Polar Surface Area:
    102.90

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
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