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  1. ALA5202712

    Name:
    4-C-p-Methoxyphenyl-1,4-dideoxy-1,4-imino-L-arabinitol

    Mol. Formula:
    C12H17NO4

    M.W.:
    239.27

    Type:
    ---

    AlogP:
    -0.79

    Polar Surface Area:
    81.95

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  2. ALA5198563

    Name:
    4-C-Butyl-1,4-dideoxy-1,4-imino-L-arabinitol

    Mol. Formula:
    C9H19NO3

    M.W.:
    189.25

    Type:
    ---

    AlogP:
    -0.77

    Polar Surface Area:
    72.72

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  3. ALA5192700

    Name:
    4-C-Nonyl-1,4-dideoxy-1,4-imino-L-arabinitol

    Mol. Formula:
    C14H29NO3

    M.W.:
    259.39

    Type:
    ---

    AlogP:
    1.18

    Polar Surface Area:
    72.72

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  4. ALA5189075

    Name:
    4-C-Phenyl-1,4-dideoxy-1,4-imino-L-arabinitol

    Mol. Formula:
    C11H15NO3

    M.W.:
    209.25

    Type:
    ---

    AlogP:
    -0.80

    Polar Surface Area:
    72.72

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  5. ALA3621761

    Name:
    8-C-beta-D-glucopyranosylpinocembrin

    Mol. Formula:
    C21H22O9

    M.W.:
    418.40

    Type:
    Small molecule

    AlogP:
    0.32

    Polar Surface Area:
    156.91

    HBA:
    9

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  6. ALA3311519

    Name:
    1-{4-(3,5-Difluorophenyl)butyl}-L-arabino-iminofuranose

    Mol. Formula:
    C15H21F2NO3

    M.W.:
    301.33

    Type:
    Small molecule

    AlogP:
    0.73

    Polar Surface Area:
    72.72

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  7. ALA3311518

    Name:
    1-{4-(4-Fluorophenyl)butyl}-L-arabino-iminofuranose

    Mol. Formula:
    C15H22FNO3

    M.W.:
    283.34

    Type:
    Small molecule

    AlogP:
    0.59

    Polar Surface Area:
    72.72

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  8. ALA3311517

    Name:
    1-{4-(4-Hydroxyphenyl)butyl}-L-arabino-iminofuranose

    Mol. Formula:
    C15H23NO4

    M.W.:
    281.35

    Type:
    Small molecule

    AlogP:
    0.16

    Polar Surface Area:
    92.95

    HBA:
    5

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  9. ALA3311516

    Name:
    1-{4-(p-Methoxyphenyl)butyl}-L-arabino-iminofuranose

    Mol. Formula:
    C16H25NO4

    M.W.:
    295.38

    Type:
    Small molecule

    AlogP:
    0.46

    Polar Surface Area:
    81.95

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  10. ALA3311515

    Name:
    1-{4-(4-Methylphenyl)butyl}-L-arabino-iminofuranose

    Mol. Formula:
    C16H25NO3

    M.W.:
    279.38

    Type:
    Small molecule

    AlogP:
    0.76

    Polar Surface Area:
    72.72

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  11. ALA2259857

    Name:
    (E)-1-(4-hydroxybenzofuran-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-one

    Mol. Formula:
    C18H14O4

    M.W.:
    294.31

    Type:
    Small molecule

    AlogP:
    4.04

    Polar Surface Area:
    59.67

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  12. ALA2259850

    Name:
    (E)-1-(6-hydroxybenzofuran-5-yl)-3-(4-methoxyphenyl)prop-2-en-1-one

    Mol. Formula:
    C18H14O4

    M.W.:
    294.31

    Type:
    Small molecule

    AlogP:
    4.04

    Polar Surface Area:
    59.67

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  13. ALA2238553

    Name:
    N'-(1-p-tolylethylidene)benzohydrazide

    Mol. Formula:
    C16H16N2O

    M.W.:
    252.32

    Type:
    Small molecule

    AlogP:
    3.15

    Polar Surface Area:
    41.46

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  14. ALA2238552

    Name:
    4-bromo-2-(4-bromo-2-hydroxybenzylideneamino)phenylimino)methyl)phenol

    Mol. Formula:
    C20H14Br2N2O2

    M.W.:
    474.15

    Type:
    Small molecule

    AlogP:
    6.12

    Polar Surface Area:
    65.18

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  15. ALA2238550

    Name:
    N1,N2-bis(1-phenylethylidene)ethane-1,2-diamine

    Mol. Formula:
    C18H20N2

    M.W.:
    264.37

    Type:
    Small molecule

    AlogP:
    4.00

    Polar Surface Area:
    24.72

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  16. ALA2236408

    Name:
    4-nitro-2-((4-nitrophenylimino)methyl)phenol

    Mol. Formula:
    C13H9N3O5

    M.W.:
    287.23

    Type:
    Small molecule

    AlogP:
    2.96

    Polar Surface Area:
    118.87

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  17. ALA2236407

    Name:
    4-bromo-2-((4-methoxyphenylimino)methyl)phenol

    Mol. Formula:
    C14H12BrNO2

    M.W.:
    306.16

    Type:
    Small molecule

    AlogP:
    3.91

    Polar Surface Area:
    41.82

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  18. ALA2236405

    Name:
    4-bromo-2-((phenylimino)methyl)phenol

    Mol. Formula:
    C13H10BrNO

    M.W.:
    276.13

    Type:
    Small molecule

    AlogP:
    3.91

    Polar Surface Area:
    32.59

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  19. ALA2236403

    Name:
    2-((4-methoxyphenylimino)methyl)phenol

    Mol. Formula:
    C14H13NO2

    M.W.:
    227.26

    Type:
    Small molecule

    AlogP:
    3.15

    Polar Surface Area:
    41.82

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  20. ALA2159633

    Name:
    1,4-dideoxy-1,4-{(S)-[(2S,3S,4S,5R,6R)-2,4,5,6,7-pentahydroxy-3-(sulfoxy)-hShow More

    Mol. Formula:
    C12H24O12S2

    M.W.:
    424.45

    Type:
    Small molecule

    AlogP:
    -6.02

    Polar Surface Area:
    228.27

    HBA:
    12

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
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