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  1. ALA3416557

    Name:
    8-((4-(furan-2-carbonyl)piperazin-1-yl)methyl)-1,3-dimethyl-7-(3-methylbenzShow More

    Mol. Formula:
    C25H28N6O4

    M.W.:
    476.54

    Type:
    Small molecule

    AlogP:
    1.34

    Polar Surface Area:
    98.51

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  2. ALA3112689

    Name:
    1-(4-chloro-3-methoxyphenylsulfonyl)-2-methyl-1H-benzo[d]imidazole

    Mol. Formula:
    C15H13ClN2O3S

    M.W.:
    336.80

    Type:
    Small molecule

    AlogP:
    3.24

    Polar Surface Area:
    61.19

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  3. ALA3112688

    Name:
    1-(4-chloro-3-methylphenylsulfonyl)-2-methyl-1H-benzo[d]imidazole

    Mol. Formula:
    C15H13ClN2O2S

    M.W.:
    320.80

    Type:
    Small molecule

    AlogP:
    3.54

    Polar Surface Area:
    51.96

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  4. ALA3112687

    Name:
    1-(3,4-difluorophenylsulfonyl)-1H-benzo[d]imidazole

    Mol. Formula:
    C13H8F2N2O2S

    M.W.:
    294.28

    Type:
    Small molecule

    AlogP:
    2.55

    Polar Surface Area:
    51.96

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  5. ALA3112686

    Name:
    1-(2-bromo-4-chlorophenylsulfonyl)-2-methyl-1H-benzo[d]imidazole

    Mol. Formula:
    C14H10BrClN2O2S

    M.W.:
    385.67

    Type:
    Small molecule

    AlogP:
    4.00

    Polar Surface Area:
    51.96

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  6. ALA3112685

    Name:
    1-(4-fluoro-2-methoxyphenylsulfonyl)-1H-benzo[d]imidazole

    Mol. Formula:
    C14H11FN2O3S

    M.W.:
    306.32

    Type:
    Small molecule

    AlogP:
    2.42

    Polar Surface Area:
    61.19

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  7. ALA3112684

    Name:
    1-(4-methoxyphenylsulfonyl)-5-nitro-1H-benzo[d]imidazole

    Mol. Formula:
    C14H11N3O5S

    M.W.:
    333.33

    Type:
    Small molecule

    AlogP:
    2.19

    Polar Surface Area:
    104.33

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  8. ALA3112683

    Name:
    1-(4-chlorophenylsulfonyl)-2-cyclohexyl-1H-benzo[d]imidazole

    Mol. Formula:
    C19H19ClN2O2S

    M.W.:
    374.89

    Type:
    Small molecule

    AlogP:
    4.97

    Polar Surface Area:
    51.96

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  9. ALA3112682

    Name:
    N-(4-(2-methyl-1H-benzo[d]imidazol-1-ylsulfonyl)phenyl)acetamide

    Mol. Formula:
    C16H15N3O3S

    M.W.:
    329.38

    Type:
    Small molecule

    AlogP:
    2.54

    Polar Surface Area:
    81.06

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  10. ALA3112681

    Name:
    1-(4-chlorophenylsulfonyl)-2-methyl-1H-benzo[d]imidazole

    Mol. Formula:
    C14H11ClN2O2S

    M.W.:
    306.77

    Type:
    Small molecule

    AlogP:
    3.24

    Polar Surface Area:
    51.96

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  11. ALA3112680

    Name:
    1-(4-isobutylphenylsulfonyl)-1H-benzo[d]imidazole

    Mol. Formula:
    C17H18N2O2S

    M.W.:
    314.41

    Type:
    Small molecule

    AlogP:
    3.47

    Polar Surface Area:
    51.96

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  12. ALA3112679

    Name:
    1-(phenylsulfonyl)-1H-benzo[d]imidazole

    Mol. Formula:
    C13H10N2O2S

    M.W.:
    258.30

    Type:
    Small molecule

    AlogP:
    2.27

    Polar Surface Area:
    51.96

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
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