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  1. ALA4514133

    Name:
    (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-10-((2S,3R
    Show More

    Mol. Formula:
    C53H78N2O22

    M.W.:
    1095.20

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA4476488

    Name:
    3-(((4-([1,1'-biphenyl]-4-ylamino)pyrimidin-2-yl)a
    Show More

    Mol. Formula:
    C22H19N5O

    M.W.:
    369.43

    Type:
    Unknown

    AlogP:
    4.13

    Polar Surface Area:
    76.78

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  3. ALA4475479

    Name:
    (S)-methyl 2-((2S,3S,4S,5R,6S)-3,4-dihydroxy-6-((3
    Show More

    Mol. Formula:
    C63H101N3O19

    M.W.:
    1204.50

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA4475021

    Name:
    3-alpha-tigloylmelianol

    Mol. Formula:
    C35H54O5

    M.W.:
    554.81

    Type:
    Unknown

    AlogP:
    7.37

    Polar Surface Area:
    68.29

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  5. ALA4474234

    Name:
    2-(4-(4-(((1,1'-biphenyl)-4-yl)amino)pyrimidin-2-y
    Show More

    Mol. Formula:
    C22H25N5O

    M.W.:
    375.48

    Type:
    Unknown

    AlogP:
    3.00

    Polar Surface Area:
    64.52

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  6. ALA4540549

    Name:
    2-((R)-5'-Chloro-3-((S)-1-(4-chlorophenyl)ethyl)-2
    Show More

    Mol. Formula:
    C40H48Cl2N8O6S

    M.W.:
    839.85

    Type:
    Unknown

    AlogP:
    5.89

    Polar Surface Area:
    176.65

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  7. ALA4538599

    Name:
    10-allyl-2-chloro-5-methoxyacridin-9(10H)-one

    Mol. Formula:
    C17H14ClNO2

    M.W.:
    299.76

    Type:
    Unknown

    AlogP:
    4.00

    Polar Surface Area:
    31.23

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  8. ALA4537569

    Name:
    N4-(4'-methyl-[1,1'-biphenyl]-4-yl)-N2-(2,2,6,6-te
    Show More

    Mol. Formula:
    C26H33N5

    M.W.:
    415.59

    Type:
    Unknown

    AlogP:
    5.92

    Polar Surface Area:
    61.87

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  9. ALA4537135

    Name:
    N4-(4-chlorophenyl)-N2-(2,2,6,6-tetramethylpiperid
    Show More

    Mol. Formula:
    C19H26ClN5

    M.W.:
    359.91

    Type:
    Unknown

    AlogP:
    4.59

    Polar Surface Area:
    61.87

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  10. ALA4520099

    Name:
    N4-([1,1'-biphenyl]-4-yl)-N2-(2-(piperidin-1-yl)et
    Show More

    Mol. Formula:
    C23H27N5

    M.W.:
    373.50

    Type:
    Unknown

    AlogP:
    4.79

    Polar Surface Area:
    53.08

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  11. ALA4534702

    Name:
    N4-(4-methylbenzyl)-N2-(2,2,6,6-tetramethylpiperid
    Show More

    Mol. Formula:
    C21H31N5

    M.W.:
    353.51

    Type:
    Unknown

    AlogP:
    4.12

    Polar Surface Area:
    61.87

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  12. Type:
    Unknown

    AlogP:
    0.12

    Polar Surface Area:
    93.39

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  13. ALA4533983

    Name:
    N4-(4'-chloro-[1,1'-biphenyl]-4-yl)-N2-(pyridin-3-
    Show More

    Mol. Formula:
    C22H18ClN5

    M.W.:
    387.87

    Type:
    Unknown

    AlogP:
    5.55

    Polar Surface Area:
    62.73

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  14. ALA4533571

    Name:
    4-((6-(4-Methoxybenzyl)-2-morpholino-7-oxo-6,7-dih
    Show More

    Mol. Formula:
    C24H26N6O5S

    M.W.:
    510.58

    Type:
    Unknown

    AlogP:
    1.87

    Polar Surface Area:
    139.98

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  15. ALA4532280

    Name:
    2-((R)-5'-Chloro-3-((S)-1-(4-chlorophenyl)ethyl)-2
    Show More

    Mol. Formula:
    C22H17Cl2N5O4

    M.W.:
    486.32

    Type:
    Unknown

    AlogP:
    3.25

    Polar Surface Area:
    117.42

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  16. ALA4531468

    Name:
    (R)-1'-(8-bromooctyl)-5'-chloro-3-((S)-1-(4-chloro
    Show More

    Mol. Formula:
    C28H30BrCl2N5O2

    M.W.:
    619.39

    Type:
    Unknown

    AlogP:
    6.90

    Polar Surface Area:
    80.12

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  17. ALA4531080

    Name:
    (2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-methyl 10-
    Show More

    Mol. Formula:
    C43H68N4O14

    M.W.:
    865.03

    Type:
    Unknown

    AlogP:
    0.14

    Polar Surface Area:
    291.68

    HBA:
    16

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  18. ALA4559756

    Name:
    (S)-methyl 2-((2S,3S,4S,5R,6S)-3,4-dihydroxy-6-((3
    Show More

    Mol. Formula:
    C60H95N3O19S3

    M.W.:
    1258.62

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  19. ALA4553551

    Name:
    4-((2-Morpholino-7-oxo-6-(2-phenoxyethyl)-6,7-dihy
    Show More

    Mol. Formula:
    C24H26N6O5S

    M.W.:
    510.58

    Type:
    Unknown

    AlogP:
    1.74

    Polar Surface Area:
    139.98

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  20. ALA4553315

    Name:
    N4-([1,1'-biphenyl]-4-yl)-N2-(pyridin-3-ylmethyl)p
    Show More

    Mol. Formula:
    C22H19N5

    M.W.:
    353.43

    Type:
    Unknown

    AlogP:
    4.89

    Polar Surface Area:
    62.73

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
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