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  1. ALA5270786

    Name:
    Salinosporamide B

    Mol. Formula:
    C14H19NO4

    M.W.:
    265.31

    Type:
    ---

    AlogP:
    0.52

    Polar Surface Area:
    75.63

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  2. ALA5290569

    Name:
    (R)-4-methyl-N-((S)-4-methyl-1-oxo-1-(((S)-1-oxohexan-2-yl)amino)pentan-2-yShow More

    Mol. Formula:
    C21H39N3O4

    M.W.:
    397.56

    Type:
    ---

    AlogP:
    2.33

    Polar Surface Area:
    104.37

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  3. ALA5209077

    Name:
    N4-methyl-N1-((S)-4-(neopentylamino)-1,4-dioxo-1-(((S)-1-oxo-4-phenyl-1-(((Show More

    Mol. Formula:
    C42H55N7O5

    M.W.:
    737.95

    Type:
    ---

    AlogP:
    4.70

    Polar Surface Area:
    152.84

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  4. ALA5208573

    Name:
    (S)-2-(4-(indoline-1-carbonyl)piperidine-1-carboxamido)-N4-neopentyl-N1-((SShow More

    Mol. Formula:
    C44H56N6O5

    M.W.:
    748.97

    Type:
    ---

    AlogP:
    5.23

    Polar Surface Area:
    139.95

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  5. ALA5207458

    Name:
    N-(4-(trifluoromethyl)benzyl)oleamide

    Mol. Formula:
    C26H40F3NO

    M.W.:
    439.61

    Type:
    ---

    AlogP:
    8.36

    Polar Surface Area:
    29.10

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  6. ALA5207222

    Name:
    N4-methyl-N1-((S)-4-(neopentylamino)-1,4-dioxo-1-(((S)-1-oxo-4-phenyl-1-(((Show More

    Mol. Formula:
    C40H53N7O5

    M.W.:
    711.91

    Type:
    ---

    AlogP:
    4.38

    Polar Surface Area:
    152.84

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  7. ALA5207153

    Name:
    N-((1r,4r)-4-methylcyclohexyl)oleamide

    Mol. Formula:
    C25H47NO

    M.W.:
    377.66

    Type:
    ---

    AlogP:
    7.72

    Polar Surface Area:
    29.10

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  8. ALA5206894

    Name:
    10-Benzyl-2-chloro-10H-phenothiazine

    Mol. Formula:
    C19H14ClNS

    M.W.:
    323.85

    Type:
    ---

    AlogP:
    6.14

    Polar Surface Area:
    3.24

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  9. ALA5206489

    Name:
    N4-methyl-N1-((S)-4-(neopentylamino)-1,4-dioxo-1-(((S)-1-oxo-4-phenyl-1-(((Show More

    Mol. Formula:
    C42H55N7O5

    M.W.:
    737.95

    Type:
    ---

    AlogP:
    4.70

    Polar Surface Area:
    152.84

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  10. ALA5205986

    Name:
    N-cyclooctyloleamide

    Mol. Formula:
    C26H49NO

    M.W.:
    391.68

    Type:
    ---

    AlogP:
    8.25

    Polar Surface Area:
    29.10

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  11. ALA5205890

    Name:
    N1-((S)-1-(((S)-1-((2-chlorobenzyl)(methyl)amino)-1-oxo-4-phenylbutan-2-yl)Show More

    Mol. Formula:
    C40H52ClN7O5

    M.W.:
    746.35

    Type:
    ---

    AlogP:
    4.82

    Polar Surface Area:
    144.05

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  12. ALA5204892

    Name:
    N1-((S)-1-((S)-1-(3,4-dihydroisoquinolin-2(1H)-yl)-1-oxo-4-phenylbutan-2-ylShow More

    Mol. Formula:
    C41H53N7O5

    M.W.:
    723.92

    Type:
    ---

    AlogP:
    4.09

    Polar Surface Area:
    144.05

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  13. ALA5204673

    Name:
    N4-methyl-N1-((S)-1-(((S)-1-(methyl((S)-1-phenylethyl)amino)-1-oxo-4-phenylShow More

    Mol. Formula:
    C41H55N7O5

    M.W.:
    725.94

    Type:
    ---

    AlogP:
    4.72

    Polar Surface Area:
    144.05

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  14. ALA5204252

    Name:
    Scytonemide A

    Mol. Formula:
    C36H56N8O9

    M.W.:
    744.89

    Type:
    ---

    AlogP:
    -1.07

    Polar Surface Area:
    270.51

    HBA:
    10

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  15. ALA5202627

    Name:
    N4-(4-chlorophenyl)-N4-methyl-N1-((S)-4-(neopentylamino)-1,4-dioxo-1-(((S)-Show More

    Mol. Formula:
    C43H55ClN6O5

    M.W.:
    771.40

    Type:
    ---

    AlogP:
    5.96

    Polar Surface Area:
    139.95

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  16. ALA5202412

    Name:
    N-(4-chlorobenzyl)oleamide

    Mol. Formula:
    C25H40ClNO

    M.W.:
    406.05

    Type:
    ---

    AlogP:
    7.99

    Polar Surface Area:
    29.10

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  17. ALA5201055

    Name:
    N4-(4-fluorophenyl)-N4-methyl-N1-((S)-4-(neopentylamino)-1,4-dioxo-1-(((S)-Show More

    Mol. Formula:
    C43H55FN6O5

    M.W.:
    754.95

    Type:
    ---

    AlogP:
    5.44

    Polar Surface Area:
    139.95

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  18. ALA5200556

    Name:
    tert-Butyl 4-((2-Chloro-10H-phenothiazin-10-yl)methyl)benzoate

    Mol. Formula:
    C24H22ClNO2S

    M.W.:
    423.97

    Type:
    ---

    AlogP:
    7.10

    Polar Surface Area:
    29.54

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  19. ALA5199732

    Name:
    N-cyclohexyloleamide

    Mol. Formula:
    C24H45NO

    M.W.:
    363.63

    Type:
    ---

    AlogP:
    7.47

    Polar Surface Area:
    29.10

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  20. ALA5198457

    Name:
    3((2-Chloro-10H-phenothiazin-10-yl)methyl)aniline

    Mol. Formula:
    C19H15ClN2S

    M.W.:
    338.86

    Type:
    ---

    AlogP:
    5.73

    Polar Surface Area:
    29.26

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
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