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

Items 1-20 of 692

Set Ascending Direction
Select all
  1. ALA4475798

    Name:
    1,8-Bis(benzyloxy)-9,10-anthraquinone-N-(2-hydroxy
    Show More

    Mol. Formula:
    C31H25NO6

    M.W.:
    507.54

    Type:
    Unknown

    AlogP:
    4.34

    Polar Surface Area:
    101.93

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  2. ALA4521660

    Name:
    Penicilone G

    Mol. Formula:
    C29H35BrO7

    M.W.:
    575.50

    Type:
    Unknown

    AlogP:
    5.48

    Polar Surface Area:
    106.97

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  3. ALA4520102

    Name:
    3-[6-morpholino-5-(trifluoromethyl)pyridazin-3-yl]
    Show More

    Mol. Formula:
    C13H12F3N5O2

    M.W.:
    327.27

    Type:
    Unknown

    AlogP:
    1.08

    Polar Surface Area:
    84.00

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  4. ALA4556604

    Name:
    2-Methylbenzyl 4-((3R,5aS,6R,8aS,9R,10R,12R,12aR)-
    Show More

    Mol. Formula:
    C28H40N2O4S2

    M.W.:
    532.77

    Type:
    Unknown

    AlogP:
    5.34

    Polar Surface Area:
    43.40

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  5. ALA4555038

    Name:
    (3E,5E)-3-(3-pyridylmethylene)-5-(2-trifluoromethy
    Show More

    Mol. Formula:
    C26H18F6N2O3S

    M.W.:
    552.50

    Type:
    Unknown

    AlogP:
    5.86

    Polar Surface Area:
    67.34

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  6. ALA4552969

    Name:
    Penicilone D

    Mol. Formula:
    C29H33ClO6

    M.W.:
    513.03

    Type:
    Unknown

    AlogP:
    6.46

    Polar Surface Area:
    89.90

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  7. ALA4745157

    Name:
    NA

    Mol. Formula:
    C39H48BrO6P

    M.W.:
    723.68

    Type:
    Unknown

    AlogP:
    7.29

    Polar Surface Area:
    63.22

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  8. ALA4744767

    Name:
    3-Bromo-5-methoxy-4-(4-((3R,5aS,6R,8aS,9R,10R,12R,
    Show More

    Mol. Formula:
    C24H35BrN2O7

    M.W.:
    543.46

    Type:
    Unknown

    AlogP:
    2.95

    Polar Surface Area:
    78.93

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  9. ALA4744657

    Name:
    2-Butyl-5-nitro-6-(4-tosylpiperazin-1-yl)-1H-benzo
    Show More

    Mol. Formula:
    C27H28N4O6S

    M.W.:
    536.61

    Type:
    Unknown

    AlogP:
    3.96

    Polar Surface Area:
    121.14

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  10. ALA4744058

    Name:
    Tert-butyl 4-(2-(4-chlorobenzyl)-5-nitro-1,3-dioxo
    Show More

    Mol. Formula:
    C28H27ClN4O6

    M.W.:
    551.00

    Type:
    Unknown

    AlogP:
    5.25

    Polar Surface Area:
    113.30

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  11. ALA4744039

    Name:
    (1E,37,4E)-1-(4-((2-chlorobenzyl)oxy)phenyl)-5-(py
    Show More

    Mol. Formula:
    C32H25ClN4O2

    M.W.:
    533.03

    Type:
    Unknown

    AlogP:
    7.73

    Polar Surface Area:
    69.49

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  12. ALA4743993

    Name:
    Artemyrianolide Q

    Mol. Formula:
    C15H20O3

    M.W.:
    248.32

    Type:
    Unknown

    AlogP:
    2.21

    Polar Surface Area:
    46.53

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.41

    DETAILS
  13. ALA4743196

    Name:
    NA

    Mol. Formula:
    C37H44BrO6P

    M.W.:
    695.63

    Type:
    Unknown

    AlogP:
    6.51

    Polar Surface Area:
    63.22

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  14. ALA4742747

    Name:
    (1E,3Z,4E)-1-(4-((2-chlorobenzyl)oxy)phenyl)-5-(py
    Show More

    Mol. Formula:
    C31H23ClN4O2

    M.W.:
    519.00

    Type:
    Unknown

    AlogP:
    7.42

    Polar Surface Area:
    69.49

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  15. ALA4741804

    Name:
    (5S)-3-chloro-5-(((1S,2R,5S)-2-isopropyl-5-methylc
    Show More

    Mol. Formula:
    C33H51ClN2O7

    M.W.:
    623.23

    Type:
    Unknown

    AlogP:
    5.62

    Polar Surface Area:
    78.93

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  16. ALA4741414

    Name:
    Tert-butyl 4-(2-(3,4-dihydroxyphenethyl)-5-nitro-1
    Show More

    Mol. Formula:
    C29H30N4O8

    M.W.:
    562.58

    Type:
    Unknown

    AlogP:
    4.06

    Polar Surface Area:
    153.76

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  17. ALA4741149

    Name:
    Artemyrianolide E

    Mol. Formula:
    C17H22O5

    M.W.:
    306.36

    Type:
    Unknown

    AlogP:
    2.06

    Polar Surface Area:
    72.83

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  18. ALA4740633

    Name:
    2-(3,4-Dihydroxyphenethyl)-5-nitro-6-(4-tosylpiper
    Show More

    Mol. Formula:
    C31H28N4O8S

    M.W.:
    616.65

    Type:
    Unknown

    AlogP:
    3.82

    Polar Surface Area:
    161.60

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  19. ALA4776030

    Name:
    Artemyrianolide S

    Mol. Formula:
    C15H20O5

    M.W.:
    280.32

    Type:
    Unknown

    AlogP:
    1.82

    Polar Surface Area:
    75.99

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  20. ALA4765013

    Name:
    2-Benzyl-5-nitro-6-(4-tosylpiperazin-1-yl)-1H-benz
    Show More

    Mol. Formula:
    C30H26N4O6S

    M.W.:
    570.63

    Type:
    Unknown

    AlogP:
    4.36

    Polar Surface Area:
    121.14

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
Page
per page