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  1. ALA4514531

    Name:
    NA

    Mol. Formula:
    C19H16N4O5S

    M.W.:
    412.43

    Type:
    Unknown

    AlogP:
    1.91

    Polar Surface Area:
    130.31

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  2. ALA4475454

    Name:
    4-(4-((5-methyl-pyrimidine-2,4-dione-1-yl)methyl)-
    Show More

    Mol. Formula:
    C17H13N5O4

    M.W.:
    351.32

    Type:
    Unknown

    AlogP:
    0.58

    Polar Surface Area:
    115.78

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  3. ALA4475078

    Name:
    1-(2-(4-(4-Chlorobenzyl)piperazin-1-yl)-2-oxoethyl
    Show More

    Mol. Formula:
    C20H23ClN6O3

    M.W.:
    430.90

    Type:
    Unknown

    AlogP:
    0.43

    Polar Surface Area:
    85.37

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  4. ALA4537771

    Name:
    (E)-1-(4-aminophenyl)-3-(thiophen-2-yl)prop-2-en-1
    Show More

    Cas Number:
    184774-59-2

    Mol. Formula:
    C13H11NOS

    M.W.:
    229.30

    Type:
    Unknown

    AlogP:
    3.23

    Polar Surface Area:
    43.09

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  5. ALA4537567

    Name:
    1-(5-bromo-2-methoxyphenyl)-3-(4-(methylsulfonyl)p
    Show More

    Mol. Formula:
    C17H15BrO4S

    M.W.:
    395.27

    Type:
    Unknown

    AlogP:
    3.76

    Polar Surface Area:
    60.44

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  6. ALA4537246

    Name:
    3,7-Dimethyl-1-(2-oxo-2-thiomorpholinoethyl)-3,7-d
    Show More

    Mol. Formula:
    C13H17N5O3S

    M.W.:
    323.38

    Type:
    Unknown

    AlogP:
    -0.99

    Polar Surface Area:
    82.13

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  7. ALA4525080

    Name:
    4-(4-((2,6-dichloro-9H-purin-9-yl)methyl)-1H-1,2,3
    Show More

    Mol. Formula:
    C17H9Cl2N7O2

    M.W.:
    414.21

    Type:
    Unknown

    AlogP:
    2.87

    Polar Surface Area:
    104.52

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  8. ALA4524354

    Name:
    16-beta-(4-((2-amino-6-chloro-9H-purin-9-yl)methyl
    Show More

    Mol. Formula:
    C27H33ClN8O2

    M.W.:
    537.07

    Type:
    Unknown

    AlogP:
    4.03

    Polar Surface Area:
    134.47

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  9. ALA4522300

    Name:
    3-(Benzo[d]thiazol-2-yl)-2-(N-2-dimethylaminoethyl
    Show More

    Mol. Formula:
    C19H19N5S

    M.W.:
    349.46

    Type:
    Unknown

    AlogP:
    3.88

    Polar Surface Area:
    53.94

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  10. ALA4521823

    Name:
    (E)-1-(4-((1-benzyl-1H-1,2,3-triazol-4-yl)methoxy)
    Show More

    Mol. Formula:
    C28H27N3O5

    M.W.:
    485.54

    Type:
    Unknown

    AlogP:
    4.83

    Polar Surface Area:
    84.70

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  11. ALA4520055

    Name:
    (S,E)-2-(4-(3-(3-nitrophenyl)acryloyl)phenoxy)-N-(
    Show More

    Mol. Formula:
    C21H18N2O7

    M.W.:
    410.38

    Type:
    Unknown

    AlogP:
    2.30

    Polar Surface Area:
    124.84

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  12. ALA4535534

    Name:
    3-(1H-benzo[d]imidazol-2-yl)-2-(N-3-(1H-imidazol-1
    Show More

    Mol. Formula:
    C21H19N7

    M.W.:
    369.43

    Type:
    Unknown

    AlogP:
    3.87

    Polar Surface Area:
    84.31

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  13. ALA4535268

    Name:
    (E)-1-(4-(((1-(4-chlorobenzyl)-1H-1,2,3-triazol-4-
    Show More

    Mol. Formula:
    C23H19ClN4OS

    M.W.:
    434.95

    Type:
    Unknown

    AlogP:
    5.55

    Polar Surface Area:
    59.81

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  14. ALA4533668

    Name:
    16-beta-(4-((6-chloro-2-fluoro-9H-purin-9-yl)methy
    Show More

    Mol. Formula:
    C27H31ClFN7O2

    M.W.:
    540.04

    Type:
    Unknown

    AlogP:
    4.30

    Polar Surface Area:
    111.61

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  15. ALA4532349

    Name:
    16-beta-(4-((6-chloro-9H-purin-9-yl)methyl)-1H-1,2
    Show More

    Mol. Formula:
    C27H34ClN7O2

    M.W.:
    524.07

    Type:
    Unknown

    AlogP:
    4.24

    Polar Surface Area:
    111.61

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  16. ALA4561010

    Name:
    1-(2,6-dichlorophenyl)-5-(2-(6-methylquinazolin-4-
    Show More

    Mol. Formula:
    C26H18Cl2N2O2

    M.W.:
    461.35

    Type:
    Unknown

    AlogP:
    7.33

    Polar Surface Area:
    52.08

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  17. ALA4559316

    Name:
    (S,E)-2-(4-(3-(3-chlorophenyl)acryloyl)phenoxy)-N-
    Show More

    Mol. Formula:
    C21H18ClNO5

    M.W.:
    399.83

    Type:
    Unknown

    AlogP:
    3.05

    Polar Surface Area:
    81.70

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  18. ALA4559198

    Name:
    16beta-(4-((5-methyl-pyrimidine-2,4-dione-1-yl)met
    Show More

    Mol. Formula:
    C27H37N5O4

    M.W.:
    495.62

    Type:
    Unknown

    AlogP:
    2.61

    Polar Surface Area:
    122.87

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  19. ALA4558193

    Name:
    (S)-2-(4-isopropylphenylamino)-N-(2-oxotetrahydrof
    Show More

    Mol. Formula:
    C15H20N2O3

    M.W.:
    276.34

    Type:
    Unknown

    AlogP:
    1.65

    Polar Surface Area:
    67.43

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  20. ALA4557953

    Name:
    16-beta-(4-((6-chloro-9H-purin-9-yl)methyl)-1H-1,2
    Show More

    Mol. Formula:
    C27H32ClN7O2

    M.W.:
    522.05

    Type:
    Unknown

    AlogP:
    4.45

    Polar Surface Area:
    108.45

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
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