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  1. ALA4594211

    Name:
    C0225217

    Mol. Formula:
    C22H20ClN5O4S

    M.W.:
    485.95

    Type:
    Unknown

    AlogP:
    3.49

    Polar Surface Area:
    99.75

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  2. ALA4594210

    Name:
    C10317836

    Mol. Formula:
    C12H16N2O3S

    M.W.:
    268.34

    Type:
    Unknown

    AlogP:
    0.78

    Polar Surface Area:
    58.64

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  3. ALA4594208

    Name:
    C10314404

    Mol. Formula:
    C14H15N3O2

    M.W.:
    257.29

    Type:
    Unknown

    AlogP:
    2.44

    Polar Surface Area:
    64.11

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  4. ALA4594205

    Name:
    C10314469

    Mol. Formula:
    C13H17N3O2

    M.W.:
    247.30

    Type:
    Unknown

    AlogP:
    1.77

    Polar Surface Area:
    67.01

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  5. ALA4594200

    Name:
    C10325326

    Mol. Formula:
    C7H9N3O

    M.W.:
    151.17

    Type:
    Unknown

    AlogP:
    0.22

    Polar Surface Area:
    68.01

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  6. ALA4594194

    Name:
    C10314372

    Mol. Formula:
    C12H13BrN4O2

    M.W.:
    325.17

    Type:
    Unknown

    AlogP:
    1.52

    Polar Surface Area:
    69.04

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.93

    DETAILS
  7. ALA4594192

    Name:
    C10316915

    Mol. Formula:
    C11H22N2O2

    M.W.:
    214.31

    Type:
    Unknown

    AlogP:
    0.61

    Polar Surface Area:
    55.56

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  8. trans-3-(boc-aminomethyl)cyclobutylamine

    Name:
    C10326522

    Mol. Formula:
    C10H20N2O2

    M.W.:
    200.28

    Type:
    Unknown

    AlogP:
    1.25

    Polar Surface Area:
    64.35

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  9. ALA4594188

    Name:
    C10315802

    Mol. Formula:
    C15H19N5

    M.W.:
    269.35

    Type:
    Unknown

    AlogP:
    2.25

    Polar Surface Area:
    76.72

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  10. ALA4594184

    Name:
    C10329674

    Mol. Formula:
    C12H11FN2O

    M.W.:
    218.23

    Type:
    Unknown

    AlogP:
    2.47

    Polar Surface Area:
    48.14

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.86

    DETAILS
  11. ALA4594181

    Name:
    C10327854

    Mol. Formula:
    C12H25NO2

    M.W.:
    215.34

    Type:
    Unknown

    AlogP:
    1.55

    Polar Surface Area:
    41.49

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  12. ALA4594180

    Name:
    C10327504

    Mol. Formula:
    C9H12N4O2S

    M.W.:
    240.29

    Type:
    Unknown

    AlogP:
    1.26

    Polar Surface Area:
    76.71

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  13. ALA4594178

    Name:
    C0226790

    Mol. Formula:
    C20H18ClN5O2

    M.W.:
    395.85

    Type:
    Unknown

    AlogP:
    3.46

    Polar Surface Area:
    81.29

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  14. ALA4594175

    Name:
    C10326466

    Mol. Formula:
    C11H17N3

    M.W.:
    191.28

    Type:
    Unknown

    AlogP:
    1.65

    Polar Surface Area:
    42.15

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.77

    DETAILS
  15. ALA4594171

    Name:
    C10327273

    Mol. Formula:
    C7H12N2O

    M.W.:
    140.19

    Type:
    Unknown

    AlogP:
    -0.52

    Polar Surface Area:
    41.13

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.54

    DETAILS
  16. ALA4594169

    Name:
    C10327114

    Mol. Formula:
    C14H15NO4

    M.W.:
    261.28

    Type:
    Unknown

    AlogP:
    2.23

    Polar Surface Area:
    60.70

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.90

    DETAILS
  17. ALA4594160

    Name:
    C10325057

    Mol. Formula:
    C15H21N3O2

    M.W.:
    275.35

    Type:
    Unknown

    AlogP:
    0.99

    Polar Surface Area:
    52.65

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  18. ALA4594156

    Name:
    C10319447

    Mol. Formula:
    C13H15F2NO3

    M.W.:
    271.26

    Type:
    Unknown

    AlogP:
    2.05

    Polar Surface Area:
    47.56

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  19. ALA4594154

    Name:
    C10323726

    Mol. Formula:
    C15H20N2O2

    M.W.:
    260.34

    Type:
    Unknown

    AlogP:
    2.26

    Polar Surface Area:
    41.57

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.91

    DETAILS
  20. ALA4594152

    Name:
    C10329527

    Mol. Formula:
    C12H13ClN4O2

    M.W.:
    280.72

    Type:
    Unknown

    AlogP:
    1.83

    Polar Surface Area:
    79.90

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
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