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  1. ALA5281933

    Name:
    (2S,4R)-1-((R)-2-acetamido-3-((5-(2-((S)-4-(4-chlorophenyl)-2,3,9-trimethylShow More

    Mol. Formula:
    C47H56ClN9O5S3

    M.W.:
    958.68

    Type:
    ---

    AlogP:
    7.20

    Polar Surface Area:
    183.80

    HBA:
    13

    HBD:
    4

    #RO5 Violations:
    3

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  2. ALA5274024

    Name:
    1,3-dimethyl-5-(2-(tetrahydro-2H-pyran-4-yl)-1-(2-(trifluoromethoxy)ethyl)-Show More

    Mol. Formula:
    C22H24F3N3O3

    M.W.:
    435.45

    Type:
    ---

    AlogP:
    4.14

    Polar Surface Area:
    58.28

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  3. ALA5273240

    Name:
    (R)-4-(5-(3,5-dimethylisoxazol-4-yl)-1-(1-(pyridin-2-yl)ethyl)-1H-pyrrolo[3Show More

    Mol. Formula:
    C26H22N4O3

    M.W.:
    438.49

    Type:
    ---

    AlogP:
    5.68

    Polar Surface Area:
    94.04

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  4. ALA5286315

    Name:
    (2S,4R)-1-((R)-2-(tert-butyl)-15-((S)-4-(4-chlorophenyl)-2,9-dimethyl-6H-thShow More

    Mol. Formula:
    C47H56ClN9O7S2

    M.W.:
    958.61

    Type:
    ---

    AlogP:
    5.66

    Polar Surface Area:
    202.26

    HBA:
    14

    HBD:
    4

    #RO5 Violations:
    3

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  5. ALA4869149

    Name:
    (S)-N5-((1R,3R,5S,6r)-3-hydroxybicyclo[3.1.0]hexan-6-yl)-N7,3-dimethyl-3-phShow More

    Mol. Formula:
    C24H26N2O4

    M.W.:
    406.48

    Type:
    Unknown

    AlogP:
    2.24

    Polar Surface Area:
    87.66

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  6. ALA4763016

    Name:
    9-Fluoro-3-((trans-4-hydroxycyclohexyl)amino)-11-methylbenzo[f]pyrido[4,3-bShow More

    Mol. Formula:
    C19H20FN3O3

    M.W.:
    357.39

    Type:
    Unknown

    AlogP:
    3.32

    Polar Surface Area:
    74.69

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  7. ALA4639128

    Name:
    4-[2-(Methoxymethyl)-1-[(R)-1-phenylethyl]-8-[(S)-pyrrolidin-3-ylmethoxy]-1Show More

    Mol. Formula:
    C30H33N5O3

    M.W.:
    511.63

    Type:
    Unknown

    AlogP:
    5.60

    Polar Surface Area:
    87.23

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  8. ALA4635540

    Name:
    GSK791

    Mol. Formula:
    C26H33N5O3

    M.W.:
    463.58

    Type:
    Unknown

    AlogP:
    3.67

    Polar Surface Area:
    103.26

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  9. ALA4635329

    Name:
    4-[8-methoxy-2-(methoxymethyl)-1-[(1R)-1-phenylethyl]imidazo[4,5-c]quinolinShow More

    Mol. Formula:
    C26H26N4O3

    M.W.:
    442.52

    Type:
    Unknown

    AlogP:
    5.62

    Polar Surface Area:
    75.20

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  10. ALA4580852

    Name:
    3-(3-(1-((S)-4-(4-Chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triaShow More

    Mol. Formula:
    C61H75ClN8O16S5

    M.W.:
    1372.10

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA4577491

    Name:
    (S)-N-(2-(2-(2-aminoethoxy)ethoxy)ethyl)-2-(4-(4-chlorophenyl)-2,3,9-trimetShow More

    Mol. Formula:
    C25H31ClN6O3S

    M.W.:
    531.08

    Type:
    Unknown

    AlogP:
    3.30

    Polar Surface Area:
    116.65

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  12. ALA4576135

    Name:
    (S)-14-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[Show More

    Mol. Formula:
    C27H33ClN6O7S2

    M.W.:
    653.18

    Type:
    Unknown

    AlogP:
    2.34

    Polar Surface Area:
    174.10

    HBA:
    11

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  13. ALA4474387

    Name:
    4-((2-(2-(2-(2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2Show More

    Mol. Formula:
    C33H37ClN6O10S

    M.W.:
    745.21

    Type:
    Unknown

    AlogP:
    2.19

    Polar Surface Area:
    231.63

    HBA:
    12

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  14. ALA4436481

    Name:
    Tert-butyl (S)-(2-(2-(2-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,Show More

    Mol. Formula:
    C30H39ClN6O5S

    M.W.:
    631.20

    Type:
    Unknown

    AlogP:
    4.86

    Polar Surface Area:
    128.96

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  15. ALA4210405

    Name:
    Isopropyl ((2S,4R)-1-acetyl-2-methyl-6-(thiophen-3-yl)-1,2,3,4-tetrahydroquShow More

    Mol. Formula:
    C20H24N2O3S

    M.W.:
    372.49

    Type:
    Small molecule

    AlogP:
    4.74

    Polar Surface Area:
    58.64

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  16. ALA4209110

    Name:
    Isopropyl ((2S,4R)-1-acetyl-6-(furan-2-yl)-2-methyl-1,2,3,4-tetrahydroquinoShow More

    Mol. Formula:
    C20H24N2O4

    M.W.:
    356.42

    Type:
    Small molecule

    AlogP:
    4.27

    Polar Surface Area:
    71.78

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  17. ALA4207106

    Name:
    Isopropyl ((2S,4R)-1-acetyl-6-(furan-3-yl)-2-methyl-1,2,3,4-tetrahydroquinoShow More

    Mol. Formula:
    C20H24N2O4

    M.W.:
    356.42

    Type:
    Small molecule

    AlogP:
    4.27

    Polar Surface Area:
    71.78

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  18. ALA4206677

    Name:
    Isopropyl ((2S,4R)-1-acetyl-2-methyl-6-(1H-pyrrol-3-yl)-1,2,3,4-tetrahydroqShow More

    Mol. Formula:
    C20H25N3O3

    M.W.:
    355.44

    Type:
    Small molecule

    AlogP:
    4.00

    Polar Surface Area:
    74.43

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  19. ALA4205876

    Name:
    Isopropyl ((2S,4R)-1-acetyl-2-methyl-6-(thiophen-2-yl)-1,2,3,4-tetrahydroquShow More

    Mol. Formula:
    C20H24N2O3S

    M.W.:
    372.49

    Type:
    Small molecule

    AlogP:
    4.74

    Polar Surface Area:
    58.64

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  20. ALA4202664

    Name:
    isopropyl ((2S,4R)-1-acetyl-2-methyl-6-(1H-pyrrol-2-yl)-1,2,3,4-tetrahydroqShow More

    Mol. Formula:
    C20H25N3O3

    M.W.:
    355.44

    Type:
    Small molecule

    AlogP:
    4.00

    Polar Surface Area:
    74.43

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
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