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  1. ALA4103775

    Name:
    5-((2-Chloro-4-nitro-5-((pyridin-3-ylmethyl)amino)phenyl)amino)-1H-benzo[d]Show More

    Mol. Formula:
    C19H15ClN6O3

    M.W.:
    410.82

    Type:
    Small molecule

    AlogP:
    4.17

    Polar Surface Area:
    128.74

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  2. ALA4101332

    Name:
    3-Chloro-4-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)amino)benzoic acid

    Mol. Formula:
    C14H10ClN3O3

    M.W.:
    303.71

    Type:
    Small molecule

    AlogP:
    2.95

    Polar Surface Area:
    97.98

    HBA:
    3

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  3. ALA4096591

    Name:
    3-(7-(4-fluorophenylamino)-4-nitrobenzo[c][1,2,5]oxadiazol-5-ylamino)propanShow More

    Mol. Formula:
    C15H14FN5O4

    M.W.:
    347.31

    Type:
    Small molecule

    AlogP:
    2.81

    Polar Surface Area:
    126.35

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  4. ALA4092657

    Name:
    5-Nitro-2-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)amino)benzonitrile

    Mol. Formula:
    C14H9N5O3

    M.W.:
    295.26

    Type:
    Small molecule

    AlogP:
    2.38

    Polar Surface Area:
    127.61

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  5. ALA4085850

    Name:
    3-((4-Chloro-2-nitro-5-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)amino)pShow More

    Mol. Formula:
    C16H14ClN5O5

    M.W.:
    391.77

    Type:
    Small molecule

    AlogP:
    3.05

    Polar Surface Area:
    153.15

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  6. ALA4084898

    Name:
    Methyl 3-chloro-4-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)amino)benzoaShow More

    Mol. Formula:
    C15H12ClN3O3

    M.W.:
    317.73

    Type:
    Small molecule

    AlogP:
    3.04

    Polar Surface Area:
    86.98

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  7. ALA4076619

    Name:
    5-((2-Chloro-4-nitro-5-((tetrahydro-2H-pyran-4-yl)amino)phenyl)amino)-1H-beShow More

    Mol. Formula:
    C18H18ClN5O4

    M.W.:
    403.83

    Type:
    Small molecule

    AlogP:
    3.75

    Polar Surface Area:
    125.08

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  8. ALA4076344

    Name:
    5-((2-Chloro-4-nitro-5-((tetrahydro-2H-pyran-4-yl)oxy)phenyl)amino)indolin-Show More

    Mol. Formula:
    C19H18ClN3O5

    M.W.:
    403.82

    Type:
    Small molecule

    AlogP:
    4.04

    Polar Surface Area:
    102.73

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  9. 6-{[2-chloro-4-nitro-5-(oxan-4-yloxy)phenyl]amino}-3,4-dihydro-1H-quinolin-2-one

    Name:
    6-((2-Chloro-4-nitro-5-((tetrahydro-2H-pyran-4-yl)oxy)phenyl)amino)-3,4-dihShow More

    Mol. Formula:
    C20H20ClN3O5

    M.W.:
    417.85

    Type:
    Small molecule

    AlogP:
    4.43

    Polar Surface Area:
    102.73

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  10. ALA4074632

    Name:
    3-Chloro-4-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)amino)benzamide

    Mol. Formula:
    C14H11ClN4O2

    M.W.:
    302.72

    Type:
    Small molecule

    AlogP:
    2.35

    Polar Surface Area:
    103.77

    HBA:
    3

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  11. ALA4070563

    Name:
    5-((4-Nitro-2-(trifluoromethyl)phenyl)amino)-1H-benzo[d]imidazol-2(3H)-one

    Mol. Formula:
    C14H9F3N4O3

    M.W.:
    338.25

    Type:
    Small molecule

    AlogP:
    3.53

    Polar Surface Area:
    103.82

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  12. ALA4070173

    Name:
    5-((2-Bromo-4-nitrophenyl)amino)-1H-benzo[d]imidazol-2(3H)-one

    Mol. Formula:
    C13H9BrN4O3

    M.W.:
    349.14

    Type:
    Small molecule

    AlogP:
    3.27

    Polar Surface Area:
    103.82

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  13. ALA4069588

    Name:
    5-((2-Chloro-4-nitro-5-((tetrahydro-2H-pyran-4-yl)oxy)phenyl)amino)-1H-benzShow More

    Mol. Formula:
    C18H17ClN4O5

    M.W.:
    404.81

    Type:
    Small molecule

    AlogP:
    3.72

    Polar Surface Area:
    122.28

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  14. 79-6 (CID5721353)

    Name:
    (Z)-2-(5-(5-bromo-2-oxoindolin-3-ylidene)-4-oxo-2-thioxothiazolidin-3-yl)suShow More

    Mol. Formula:
    C15H9BrN2O6S2

    M.W.:
    457.28

    Type:
    Small molecule

    AlogP:
    1.90

    Polar Surface Area:
    124.01

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  15. ALA4066000

    Name:
    Ethyl 3-((4-chloro-2-nitro-5-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)aShow More

    Mol. Formula:
    C18H18ClN5O5

    M.W.:
    419.83

    Type:
    Small molecule

    AlogP:
    3.53

    Polar Surface Area:
    142.15

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  16. ALA4063725

    Name:
    5-(2-chloro-4-nitrophenylamino)-1H-benzo[d]imidazol-2(3H)-one

    Mol. Formula:
    C13H9ClN4O3

    M.W.:
    304.69

    Type:
    Small molecule

    AlogP:
    3.16

    Polar Surface Area:
    103.82

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  17. ALA4063249

    Name:
    3-Chloro-4-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)amino)benzonitrile

    Mol. Formula:
    C14H9ClN4O

    M.W.:
    284.71

    Type:
    Small molecule

    AlogP:
    3.12

    Polar Surface Area:
    84.47

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
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