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  1. ALA1089234

    Name:
    2-(4-Aminophenyl)-1-methyl-5-trifluoromethyl-1Hben
    Show More

    Mol. Formula:
    C15H12F3N3

    M.W.:
    291.28

    Type:
    Small molecule

    AlogP:
    3.84

    Polar Surface Area:
    43.84

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  2. ALA1091037

    Name:
    2-(4-Acetylaminophenyl)-1-methyl-5-trifluoromethyl
    Show More

    Mol. Formula:
    C17H14F3N3O

    M.W.:
    333.31

    Type:
    Small molecule

    AlogP:
    4.22

    Polar Surface Area:
    46.92

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  3. ALA1095562

    Name:
    2-[4-(Diethylamino)acetylaminophenyl]-1-methyl-5-t
    Show More

    Mol. Formula:
    C21H23F3N4O

    M.W.:
    404.44

    Type:
    Small molecule

    AlogP:
    4.54

    Polar Surface Area:
    50.16

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  4. ALA1095561

    Name:
    1-Methyl-2-(4-propionylaminophenyl)-5-trifluoromet
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    Mol. Formula:
    C18H16F3N3O

    M.W.:
    347.34

    Type:
    Small molecule

    AlogP:
    4.61

    Polar Surface Area:
    46.92

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  5. ALA1093520

    Name:
    1-(1-Adamantyl)-2-(4-chloroacetylaminophenyl)-5-tr
    Show More

    Mol. Formula:
    C26H25ClF3N3O

    M.W.:
    487.95

    Type:
    Small molecule

    AlogP:
    6.82

    Polar Surface Area:
    46.92

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  6. ALA1093513

    Name:
    5,6-Dichloro-2-[4-(1-pyrrolidinyl)acetylaminopheny
    Show More

    Mol. Formula:
    C20H20Cl2N4O

    M.W.:
    403.31

    Type:
    Small molecule

    AlogP:
    4.96

    Polar Surface Area:
    61.02

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  7. ALA1093512

    Name:
    5,6-Dichloro-2-(4-propionylaminophenyl)-1H-benzimi
    Show More

    Mol. Formula:
    C19H18Cl2N4O

    M.W.:
    389.29

    Type:
    Small molecule

    AlogP:
    4.57

    Polar Surface Area:
    61.02

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  8. ALA1093511

    Name:
    2-(4-Acetylaminophenyl)-5,6-dichloro-1H-benzimidaz
    Show More

    Mol. Formula:
    C15H11Cl2N3O

    M.W.:
    320.18

    Type:
    Small molecule

    AlogP:
    4.50

    Polar Surface Area:
    57.78

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  9. ALA1093553

    Name:
    4-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)aniline

    Mol. Formula:
    C13H9Cl2N3

    M.W.:
    278.14

    Type:
    Small molecule

    AlogP:
    4.12

    Polar Surface Area:
    54.70

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  10. ALA1090692

    Name:
    1,3-bis(4-(5-(trifluoromethyl)-1H-benzo[d]imidazol
    Show More

    Mol. Formula:
    C29H18F6N6O

    M.W.:
    580.49

    Type:
    Small molecule

    AlogP:
    8.45

    Polar Surface Area:
    98.49

    HBA:
    3

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  11. ALA1090678

    Name:
    1-Adamantyl-2-[4-(4-phenyl-1-piperazinyl)acetylami
    Show More

    Mol. Formula:
    C36H38F3N5O

    M.W.:
    613.73

    Type:
    Small molecule

    AlogP:
    7.41

    Polar Surface Area:
    53.40

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  12. ALA1090567

    Name:
    1-(1-Adamantyl)-2-(4-propionylaminophenyl)-5-trifl
    Show More

    Mol. Formula:
    C27H28F3N3O

    M.W.:
    467.54

    Type:
    Small molecule

    AlogP:
    7.00

    Polar Surface Area:
    46.92

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  13. ALA1093853

    Name:
    2-(4-Acetylaminophenyl)-1-(1-adamantyl)-5-trifluor
    Show More

    Mol. Formula:
    C26H26F3N3O

    M.W.:
    453.51

    Type:
    Small molecule

    AlogP:
    6.61

    Polar Surface Area:
    46.92

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  14. ALA1092703

    Name:
    1-(1-Adamantyl)-2-(4-aminophenyl)-5-trifluoromethy
    Show More

    Mol. Formula:
    C24H24F3N3

    M.W.:
    411.47

    Type:
    Small molecule

    AlogP:
    6.23

    Polar Surface Area:
    43.84

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  15. ALA1092702

    Name:
    1-Cyclohexyl-2-(4-propionylaminophenyl)-5-trifluor
    Show More

    Mol. Formula:
    C23H24F3N3O

    M.W.:
    415.46

    Type:
    Small molecule

    AlogP:
    6.58

    Polar Surface Area:
    46.92

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  16. ALA1092701

    Name:
    2-(4-Acetylaminophenyl)-1-cyclohexyl-5-trifluorome
    Show More

    Mol. Formula:
    C22H22F3N3O

    M.W.:
    401.43

    Type:
    Small molecule

    AlogP:
    6.19

    Polar Surface Area:
    46.92

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  17. ALA1093876

    Name:
    2-(4-Aminophenyl)-1-cyclohexyl-5-trifluoromethyl-1
    Show More

    Mol. Formula:
    C20H20F3N3

    M.W.:
    359.40

    Type:
    Small molecule

    AlogP:
    5.81

    Polar Surface Area:
    43.84

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  18. ALA1093875

    Name:
    1-Methyl-2-[4-(4-phenyl-1-piperazinyl)acetylaminop
    Show More

    Mol. Formula:
    C27H26F3N5O

    M.W.:
    493.53

    Type:
    Small molecule

    AlogP:
    5.02

    Polar Surface Area:
    53.40

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  19. ALA1093874

    Name:
    1-Methyl-2-[4-(4-methyl-1-piperazinyl)acetylaminop
    Show More

    Mol. Formula:
    C22H24F3N5O

    M.W.:
    431.46

    Type:
    Small molecule

    AlogP:
    3.45

    Polar Surface Area:
    53.40

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  20. ALA1093873

    Name:
    1-Methyl-2-[4-(4-thiomorpholino)acetylaminophenyl]
    Show More

    Mol. Formula:
    C21H21F3N4OS

    M.W.:
    434.49

    Type:
    Small molecule

    AlogP:
    4.25

    Polar Surface Area:
    50.16

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
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