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  1. ALA3310983

    Name:
    3,5-Dibromo-4-methoxyphenylpyruvic acid

    Mol. Formula:
    C10H8Br2O4

    M.W.:
    351.98

    Type:
    Small molecule

    AlogP:
    2.42

    Polar Surface Area:
    63.60

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  2. ALA3286795

    Name:
    3,5-dibromo-4-methoxybenzoic acid

    Cas Number:
    4073-35-2

    Mol. Formula:
    C8H6Br2O3

    M.W.:
    309.94

    Type:
    Small molecule

    AlogP:
    2.92

    Polar Surface Area:
    46.53

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  3. ALA3286794

    Name:
    N,N,N-trimethyl-3-bromo-4-methoxytyrosine

    Mol. Formula:
    C15H19BrF3NO5

    M.W.:
    430.22

    Type:
    Small molecule

    AlogP:
    2.16

    Polar Surface Area:
    46.53

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  4. ALA3286793

    Name:
    2,6-dibromo-4-[2-(dimethylamino)ethyl]phenol

    Mol. Formula:
    C12H14Br2F3NO3

    M.W.:
    437.05

    Type:
    Small molecule

    AlogP:
    3.02

    Polar Surface Area:
    23.47

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.92

    DETAILS
  5. ALA3286792

    Name:
    Purealidine G

    Mol. Formula:
    C18H24Br2F6N2O5

    M.W.:
    622.20

    Type:
    Small molecule

    AlogP:
    3.30

    Polar Surface Area:
    24.50

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  6. ALA3286791

    Name:
    Aplysamine-1-N-oxide

    Mol. Formula:
    C19H26Br2F6N2O6

    M.W.:
    652.22

    Type:
    Small molecule

    AlogP:
    3.55

    Polar Surface Area:
    32.70

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  7. ALA3286790

    Name:
    Aplysinellamide C

    Mol. Formula:
    C15H18BrNO4

    M.W.:
    356.22

    Type:
    Small molecule

    AlogP:
    2.84

    Polar Surface Area:
    75.63

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  8. ALA3286789

    Name:
    Aplysinellamide B

    Mol. Formula:
    C18H21Br2F3N2O6

    M.W.:
    578.18

    Type:
    Small molecule

    AlogP:
    2.93

    Polar Surface Area:
    101.65

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  9. ALA3286788

    Name:
    Aplysinellamide A

    Mol. Formula:
    C18H22BrF3N2O6

    M.W.:
    499.28

    Type:
    Small molecule

    AlogP:
    2.17

    Polar Surface Area:
    101.65

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  10. ALA2086867

    Name:
    (4-(benzyloxy)phenyl)(phenyl)methanone

    Cas Number:
    54589-41-2

    Mol. Formula:
    C20H16O2

    M.W.:
    288.35

    Type:
    Small molecule

    AlogP:
    4.50

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  11. ALA2086866

    Name:
    2-(benzyloxy)-1,2-diphenylethanone

    Mol. Formula:
    C21H18O2

    M.W.:
    302.37

    Type:
    Small molecule

    AlogP:
    4.83

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  12. ALA2086865

    Name:
    1-tritylpyrrolidine

    Mol. Formula:
    C23H23N

    M.W.:
    313.44

    Type:
    Small molecule

    AlogP:
    5.07

    Polar Surface Area:
    3.24

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  13. ALA2086864

    Name:
    N-butyl-N-tritylbutan-1-amine

    Mol. Formula:
    C27H33N

    M.W.:
    371.57

    Type:
    Small molecule

    AlogP:
    6.88

    Polar Surface Area:
    3.24

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  14. ALA2086863

    Name:
    N-ethyl-N-tritylethanamine

    Cas Number:
    20020-78-4

    Mol. Formula:
    C23H25N

    M.W.:
    315.46

    Type:
    Small molecule

    AlogP:
    5.32

    Polar Surface Area:
    3.24

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  15. ALA2086862

    Name:
    rac-N-(naphthalen-2-yldiphenylmethyl)-1-phenyletha
    Show More

    Mol. Formula:
    C31H27N

    M.W.:
    413.56

    Type:
    Small molecule

    AlogP:
    7.48

    Polar Surface Area:
    12.03

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  16. ALA2086861

    Name:
    N-(naphthalen-2-yldiphenylmethyl)butan-2-amine

    Mol. Formula:
    C27H27N

    M.W.:
    365.52

    Type:
    Small molecule

    AlogP:
    6.52

    Polar Surface Area:
    12.03

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  17. ALA2086860

    Name:
    2-methyl-N-(naphthalen-2-yldiphenylmethyl)propan-1
    Show More

    Mol. Formula:
    C27H27N

    M.W.:
    365.52

    Type:
    Small molecule

    AlogP:
    6.38

    Polar Surface Area:
    12.03

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  18. ALA2086859

    Name:
    N-(naphthalen-2-yldiphenylmethyl)cyclohexanamine

    Mol. Formula:
    C29H29N

    M.W.:
    391.56

    Type:
    Small molecule

    AlogP:
    7.05

    Polar Surface Area:
    12.03

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  19. ALA2086858

    Name:
    4-(Naphthalen-2-yl-diphenyl-methyl)-morpholine

    Mol. Formula:
    C27H25NO

    M.W.:
    379.50

    Type:
    Small molecule

    AlogP:
    5.46

    Polar Surface Area:
    12.47

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  20. ALA2086857

    Name:
    1-(naphthalen-2-yldiphenylmethyl)piperidine

    Mol. Formula:
    C28H27N

    M.W.:
    377.53

    Type:
    Small molecule

    AlogP:
    6.62

    Polar Surface Area:
    3.24

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
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