The page will load shortly, Thanks for your patience!
View as Grid List

Items 1-20 of 103

Set Ascending Direction
Select all
  1. ALA3217122

    Name:
    N''-[2-(1,3-benzothiazol-2-ylthio)-6-fluoro-2,3-di
    Show More

    Mol. Formula:
    C17H16Cl2FN5S2

    M.W.:
    444.39

    Type:
    Small molecule

    AlogP:
    3.13

    Polar Surface Area:
    89.65

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  2. ALA3216442

    Name:
    N''-{2-[(5-methoxy-1H-benzimidazol-2-yl)thio]-2,3-
    Show More

    Mol. Formula:
    C18H20Cl2N6OS

    M.W.:
    439.37

    Type:
    Small molecule

    AlogP:
    2.27

    Polar Surface Area:
    114.67

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  3. ALA3216234

    Name:
    N''-[2-(1H-benzimidazol-2-ylthio)-5,6-dimethoxy-2,
    Show More

    Mol. Formula:
    C19H22Cl2N6O2S

    M.W.:
    469.40

    Type:
    Small molecule

    AlogP:
    2.27

    Polar Surface Area:
    123.90

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  4. ALA3215789

    Name:
    N''-[2-(1,3-benzothiazol-2-ylthio)-5,6-dimethoxy-2
    Show More

    Mol. Formula:
    C19H21Cl2N5O2S2

    M.W.:
    486.45

    Type:
    Small molecule

    AlogP:
    3.01

    Polar Surface Area:
    108.11

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  5. ALA3215583

    Name:
    N''-[2-(1,3-benzothiazol-2-ylthio)-4-chloro-2,3-di
    Show More

    Mol. Formula:
    C17H17Cl4N5S2

    M.W.:
    497.30

    Type:
    Small molecule

    AlogP:
    3.64

    Polar Surface Area:
    89.65

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  6. ALA3215581

    Name:
    N''-[2-(1H-benzimidazol-2-ylthio)-2,3-dihydro-1H-i
    Show More

    Mol. Formula:
    C17H18Cl2N6S

    M.W.:
    409.35

    Type:
    Small molecule

    AlogP:
    2.26

    Polar Surface Area:
    105.44

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  7. ALA2170610

    Name:
    N-[4-(1-Acetyl-piperidin-4-yl)-3-trifluoromethyl-b
    Show More

    Cas Number:
    1204329-34-9

    Mol. Formula:
    C16H19F3N4O2

    M.W.:
    356.35

    Type:
    Small molecule

    AlogP:
    2.05

    Polar Surface Area:
    99.28

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  8. ALA1829139

    Name:
    N-(5-(carbamimidoylcarbamoyl)-2-(3-(4-(2,3,4-trime
    Show More

    Mol. Formula:
    C30H38N6O6S

    M.W.:
    610.74

    Type:
    Small molecule

    AlogP:
    3.24

    Polar Surface Area:
    151.47

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  9. ALA1829138

    Name:
    N-(5-(carbamimidoylcarbamoyl)-2-(3-(4-(2,3,4-trime
    Show More

    Mol. Formula:
    C31H40N6O6S

    M.W.:
    624.76

    Type:
    Small molecule

    AlogP:
    3.54

    Polar Surface Area:
    151.47

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  10. ALA1829137

    Name:
    N-(5-(carbamimidoylcarbamoyl)-2-(3-(4-(2,3,4-trime
    Show More

    Mol. Formula:
    C30H38N6O6S

    M.W.:
    610.74

    Type:
    Small molecule

    AlogP:
    3.24

    Polar Surface Area:
    151.47

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  11. ALA1829136

    Name:
    N-(5-(carbamimidoylcarbamoyl)-2-(3-(4-(2,3,4-trime
    Show More

    Mol. Formula:
    C32H38Cl2N6O6

    M.W.:
    673.60

    Type:
    Small molecule

    AlogP:
    4.48

    Polar Surface Area:
    151.47

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  12. ALA1829135

    Name:
    N-(5-(carbamimidoylcarbamoyl)-2-(3-(4-(2,3,4-trime
    Show More

    Mol. Formula:
    C32H38Cl2N6O6

    M.W.:
    673.60

    Type:
    Small molecule

    AlogP:
    4.48

    Polar Surface Area:
    151.47

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  13. ALA1829134

    Name:
    N-carbamimidoyl-3-(4-(trifluoromethyl)benzamido)-4
    Show More

    Mol. Formula:
    C33H39F3N6O6

    M.W.:
    672.71

    Type:
    Small molecule

    AlogP:
    4.19

    Polar Surface Area:
    151.47

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  14. ALA1829133

    Name:
    N-carbamimidoyl-3-(4-methylphenylsulfonamido)-4-(3
    Show More

    Mol. Formula:
    C32H42N6O7S

    M.W.:
    654.79

    Type:
    Small molecule

    AlogP:
    3.03

    Polar Surface Area:
    168.54

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  15. ALA1829132

    Name:
    N-carbamimidoyl-3-(2-nitrobenzamido)-4-(3-(4-(2,3,
    Show More

    Mol. Formula:
    C32H39N7O8

    M.W.:
    649.70

    Type:
    Small molecule

    AlogP:
    3.08

    Polar Surface Area:
    194.61

    HBA:
    11

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  16. ALA1829131

    Name:
    N-carbamimidoyl-3-(4-methoxybenzamido)-4-(3-(4-(2,
    Show More

    Mol. Formula:
    C33H42N6O7

    M.W.:
    634.73

    Type:
    Small molecule

    AlogP:
    3.18

    Polar Surface Area:
    160.70

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  17. ALA1829130

    Name:
    N-carbamimidoyl-3-(4-ethylbenzamido)-4-(3-(4-(2,3,
    Show More

    Mol. Formula:
    C34H44N6O6

    M.W.:
    632.76

    Type:
    Small molecule

    AlogP:
    3.74

    Polar Surface Area:
    151.47

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  18. ALA1829129

    Name:
    3-benzamido-N-carbamimidoyl-4-(3-(4-(2,3,4-trimeth
    Show More

    Mol. Formula:
    C32H40N6O6

    M.W.:
    604.71

    Type:
    Small molecule

    AlogP:
    3.17

    Polar Surface Area:
    151.47

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  19. ALA1829128

    Name:
    N-(5-(carbamimidoylcarbamoyl)-2-(2-(4-(2,3,4-trime
    Show More

    Mol. Formula:
    C29H36N6O6S

    M.W.:
    596.71

    Type:
    Small molecule

    AlogP:
    2.85

    Polar Surface Area:
    151.47

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  20. ALA1829127

    Name:
    N-(5-(carbamimidoylcarbamoyl)-2-(2-(4-(2,3,4-trime
    Show More

    Mol. Formula:
    C30H38N6O6S

    M.W.:
    610.74

    Type:
    Small molecule

    AlogP:
    3.15

    Polar Surface Area:
    151.47

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
Page
per page