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

Items 1-20 of 129

Set Ascending Direction
Select all
  1. ALA5282446

    Name:
    (2R,3R,4R,5S)-5-((R)-2-amino-1-(((2R,3R,4R)-3,4-di
    Show More

    Mol. Formula:
    C34H51N5O13

    M.W.:
    737.80

    Type:
    ---

    AlogP:
    -0.49

    Polar Surface Area:
    259.83

    HBA:
    14

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  2. ALA5277991

    Name:
    (2R,3R,4R,5S)-2-((1R)-2-amino-1-((3S,4R,5R)-5-(2,4
    Show More

    Mol. Formula:
    C23H24F2N4O11

    M.W.:
    570.46

    Type:
    ---

    AlogP:
    -2.44

    Polar Surface Area:
    224.66

    HBA:
    12

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  3. ALA5284944

    Name:
    (2R,3R,4R,5S)-5-((R)-2-amino-1-(((2R,3R,4R)-3,4-di
    Show More

    Mol. Formula:
    C39H61N5O13

    M.W.:
    807.94

    Type:
    ---

    AlogP:
    1.46

    Polar Surface Area:
    259.83

    HBA:
    14

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    22

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  4. ALA4099328

    Name:
    2-Cyclohexylsulfanyl-5-(3,5-dinitrophenyl)-1,3,4-o
    Show More

    Mol. Formula:
    C14H14N4O5S

    M.W.:
    350.36

    Type:
    Small molecule

    AlogP:
    3.98

    Polar Surface Area:
    125.20

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  5. ALA4097436

    Name:
    5-[(4-Chlorobenzyl)sulfanyl]-1-(3,5-dinitrophenyl)
    Show More

    Mol. Formula:
    C14H9ClN6O4S

    M.W.:
    392.78

    Type:
    Small molecule

    AlogP:
    3.42

    Polar Surface Area:
    129.88

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  6. ALA4097119

    Name:
    2-((3,5-Dinitrobenzyl)sulfanyl)-5-(3-(piperidin-1-
    Show More

    Mol. Formula:
    C17H21N5O5S

    M.W.:
    407.45

    Type:
    Small molecule

    AlogP:
    3.60

    Polar Surface Area:
    128.44

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  7. ALA4095835

    Name:
    2-((4-Chlorobenzyl)sulfanyl)-5-(3-nitro-5-(trifluo
    Show More

    Mol. Formula:
    C16H9ClF3N3O3S

    M.W.:
    415.78

    Type:
    Small molecule

    AlogP:
    5.61

    Polar Surface Area:
    82.06

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  8. ALA4095824

    Name:
    N-(3-(5-(benzylsulfanyl)-1,3,4-oxadiazol-2-yl)-5-n
    Show More

    Mol. Formula:
    C17H14N4O4S

    M.W.:
    370.39

    Type:
    Small molecule

    AlogP:
    3.90

    Polar Surface Area:
    111.16

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  9. ALA4094957

    Name:
    5-(3,5-Dinitrophenyl)-1,3,4-oxadiazole-2-thiol

    Mol. Formula:
    C8H4N4O5S

    M.W.:
    268.21

    Type:
    Small molecule

    AlogP:
    1.84

    Polar Surface Area:
    125.20

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  10. ALA4094514

    Name:
    2-(3,5-Dinitrophenyl)-5-((3-(morpholine-4-yl)propy
    Show More

    Mol. Formula:
    C15H17N5O6S

    M.W.:
    395.40

    Type:
    Small molecule

    AlogP:
    2.37

    Polar Surface Area:
    137.67

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  11. ALA4104413

    Name:
    2-[(2,4-Dichlorobenzyl)sulfanyl]-5-(3,5-dinitrophe
    Show More

    Mol. Formula:
    C15H8Cl2N4O5S

    M.W.:
    427.23

    Type:
    Small molecule

    AlogP:
    5.15

    Polar Surface Area:
    125.20

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  12. ALA4103592

    Name:
    2-(Benzylsulfanyl)-5-(3-nitro-5-(trifluoromethyl)p
    Show More

    Mol. Formula:
    C16H10F3N3O3S

    M.W.:
    381.33

    Type:
    Small molecule

    AlogP:
    4.96

    Polar Surface Area:
    82.06

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  13. ALA4103580

    Name:
    N-(3-(5-((4-chlorobenzyl)sulfanyl)-1,3,4-oxadiazol
    Show More

    Mol. Formula:
    C17H13ClN4O4S

    M.W.:
    404.84

    Type:
    Small molecule

    AlogP:
    4.55

    Polar Surface Area:
    111.16

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  14. ALA4102544

    Name:
    2-((3-(4-Benzylpiperazin-1-yl)propyl)sulfanyl)-5-(
    Show More

    Mol. Formula:
    C22H24N6O5S

    M.W.:
    484.54

    Type:
    Small molecule

    AlogP:
    3.85

    Polar Surface Area:
    131.68

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  15. ALA4102258

    Name:
    2-(5-(4-Benzylpiperazin-1-yl)pentyl)-5-((3,5-dinit
    Show More

    Mol. Formula:
    C25H30N6O5S

    M.W.:
    526.62

    Type:
    Small molecule

    AlogP:
    4.71

    Polar Surface Area:
    131.68

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  16. ALA4102014

    Name:
    2-[(2-Chlorobenzyl)sulfanyl]-5-(3,5-dinitrophenyl)
    Show More

    Mol. Formula:
    C15H9ClN4O5S

    M.W.:
    392.78

    Type:
    Small molecule

    AlogP:
    4.50

    Polar Surface Area:
    125.20

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  17. ALA4101143

    Name:
    3-(5-((4-Chlorobenzyl)sulfanyl)-1,3,4-oxadiazol-2-
    Show More

    Mol. Formula:
    C15H11ClN4O3S

    M.W.:
    362.80

    Type:
    Small molecule

    AlogP:
    4.17

    Polar Surface Area:
    108.08

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  18. ALA4100179

    Name:
    N-(3-nitro-5-(5-((4-nitrobenzyl)sulfanyl)-1,3,4-ox
    Show More

    Mol. Formula:
    C17H13N5O6S

    M.W.:
    415.39

    Type:
    Small molecule

    AlogP:
    3.80

    Polar Surface Area:
    154.30

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  19. ALA4094283

    Name:
    5-(3,5-Dinitrophenyl)-2-[(4-nitrobenzyl)sulfanyl]-
    Show More

    Mol. Formula:
    C15H9N5O7S

    M.W.:
    403.33

    Type:
    Small molecule

    AlogP:
    3.75

    Polar Surface Area:
    168.34

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  20. ALA4093390

    Name:
    3-(5-(Benzylsulfanyl)-1,3,4-oxadiazol-2-yl)-5-nitr
    Show More

    Mol. Formula:
    C15H12N4O3S

    M.W.:
    328.35

    Type:
    Small molecule

    AlogP:
    3.52

    Polar Surface Area:
    108.08

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
Page
per page