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

Items 1-20 of 1,264

Set Ascending Direction
Select all
  1. ALA5279441

    Name:
    Ieodoglucomide B

    Mol. Formula:
    C29H51NO12

    M.W.:
    605.72

    Type:
    ---

    AlogP:
    2.13

    Polar Surface Area:
    209.15

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    23

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  2. ALA4756324

    Name:
    1-(4-(4-methylpiperazine-1-carbonyl)phenyl)-3-(4-(6-((4-(methylsulfonyl)pipShow More

    Mol. Formula:
    C35H44N10O5S

    M.W.:
    716.87

    Type:
    Unknown

    AlogP:
    2.34

    Polar Surface Area:
    147.96

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  3. ALA4756074

    Name:
    1-(4-fluorophenyl)-3-(4-(6-((4-(methylsulfonyl)piperazin-1-yl)methyl)-4-morShow More

    Mol. Formula:
    C29H33FN8O4S

    M.W.:
    608.70

    Type:
    Unknown

    AlogP:
    3.09

    Polar Surface Area:
    124.41

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  4. ALA4578595

    Name:
    2,3-dihydro-2,3-epoxy-2-propylsulfonyl-5,8-dimethoxy-1,4-naphthoquinone

    Mol. Formula:
    C15H16O7S

    M.W.:
    340.35

    Type:
    Unknown

    AlogP:
    1.00

    Polar Surface Area:
    99.27

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  5. ALA4532449

    Name:
    (S)-N-((S)-1-((S)-1-((S)-2-((tert-Butyldiphenylsilyloxy)methyl)-oxiran-2-ylShow More

    Mol. Formula:
    C56H75N5O8Si

    M.W.:
    974.33

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA4483448

    Name:
    3-(5-Hydroxy-6,7-dimethoxy-4-oxo-4H-chromen-2-yl)-N-(4-methoxyphenyl)benzamShow More

    Mol. Formula:
    C25H21NO7

    M.W.:
    447.44

    Type:
    Unknown

    AlogP:
    4.44

    Polar Surface Area:
    107.23

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  7. ALA4474639

    Name:
    N-(3-(5-Hydroxy-6,7-trimethoxy-4-oxo-4H-chromen-2-yl)phenyl)benzo[d][1,3]diShow More

    Mol. Formula:
    C25H19NO8

    M.W.:
    461.43

    Type:
    Unknown

    AlogP:
    4.16

    Polar Surface Area:
    116.46

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  8. ALA4471682

    Name:
    4-Methoxy-N-(3-(5-Hydroxy-6,7-trimethoxy-4-oxo-4H-chromen-2-yl)phenyl)benzaShow More

    Mol. Formula:
    C25H21NO7

    M.W.:
    447.44

    Type:
    Unknown

    AlogP:
    4.44

    Polar Surface Area:
    107.23

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  9. ALA4461169

    Name:
    (+/-)-2,3,4,7-tetrahydroxy-1,3,4,4a,5,9,10,12b-octahydro[1,4]dioxino[2,3-j]Show More

    Mol. Formula:
    C15H17NO7

    M.W.:
    323.30

    Type:
    Unknown

    AlogP:
    -1.15

    Polar Surface Area:
    128.48

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  10. ALA4460652

    Name:
    3-Methoxy-N-(3-(5-Hydroxy-6,7-trimethoxy-4-oxo-4H-chromen-2-yl)phenyl)benzaShow More

    Mol. Formula:
    C25H21NO7

    M.W.:
    447.44

    Type:
    Unknown

    AlogP:
    4.44

    Polar Surface Area:
    107.23

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  11. ALA4459808

    Name:
    N-((S)-3-hydroxy-1-((S)-1-((S)-2-(((2-methoxyethoxy)methoxy)methyl)oxiran-2Show More

    Mol. Formula:
    C23H42N2O8

    M.W.:
    474.60

    Type:
    Unknown

    AlogP:
    0.94

    Polar Surface Area:
    135.72

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  12. ALA4459553

    Name:
    3-(5-Hydroxy-6,7-dimethoxy-4-oxo-4H-chromen-2-yl)-N-(3,4-methylenedioxyphenShow More

    Mol. Formula:
    C25H19NO8

    M.W.:
    461.43

    Type:
    Unknown

    AlogP:
    4.16

    Polar Surface Area:
    116.46

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  13. ALA4458542

    Name:
    3-(5-Hydroxy-6,7-dimethoxy-4-oxo-4H-chromen-2-yl)-N-(3-methoxyphenyl)benzamShow More

    Mol. Formula:
    C25H21NO7

    M.W.:
    447.44

    Type:
    Unknown

    AlogP:
    4.44

    Polar Surface Area:
    107.23

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  14. ALA4451741

    Name:
    (S)-N-((S)-1-((S)-1-((R)-2-(Hydroxymethyl)oxiran-2-yl)-4-methyl-1-oxopentanShow More

    Mol. Formula:
    C40H57N5O8

    M.W.:
    735.92

    Type:
    Unknown

    AlogP:
    1.56

    Polar Surface Area:
    178.70

    HBA:
    9

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  15. ALA4449204

    Name:
    ((S)-2-((2S,5S,8S,11S)-5-benzyl-2,8-diisobutyl-14-morpholino-4,7,10,13-tetrShow More

    Mol. Formula:
    C41H59N5O10S

    M.W.:
    814.01

    Type:
    Unknown

    AlogP:
    1.54

    Polar Surface Area:
    201.84

    HBA:
    11

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    23

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  16. ALA4448471

    Name:
    3-(5-Hydroxy-6,7-dimethoxy-4-oxo-4H-chromen-2-yl)-N-(3,4,5-trimethoxyphenylShow More

    Mol. Formula:
    C27H25NO9

    M.W.:
    507.50

    Type:
    Unknown

    AlogP:
    4.46

    Polar Surface Area:
    125.69

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  17. ALA4447840

    Name:
    N-((S)-1-((S)-1-((R)-2-(Hydroxymethyl)oxiran-2-yl)-4-methyl-1-oxopentan-2-yShow More

    Mol. Formula:
    C19H34N2O5

    M.W.:
    370.49

    Type:
    Unknown

    AlogP:
    1.32

    Polar Surface Area:
    108.03

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  18. ALA4439464

    Name:
    2-Methoxy-N-(3-(5-Hydroxy-6,7-trimethoxy-4-oxo-4H-chromen-2-yl)phenyl)benzaShow More

    Mol. Formula:
    C25H21NO7

    M.W.:
    447.44

    Type:
    Unknown

    AlogP:
    4.44

    Polar Surface Area:
    107.23

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  19. ALA4435598

    Name:
    2,3-dihydro-2,3-epoxy-2-nonylsulfonyl-5,8-dimethoxy-1,4-naphthoquinone

    Mol. Formula:
    C21H28O7S

    M.W.:
    424.52

    Type:
    Unknown

    AlogP:
    3.34

    Polar Surface Area:
    99.27

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  20. ALA4299158

    Name:
    SID496063

    Mol. Formula:
    C45H42Cl2O6Si

    M.W.:
    777.82

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
Page
per page