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

Items 1-20 of 233

Set Ascending Direction
Select all
  1. ALA4513604

    Name:
    19-O-Acetylclinopodiolide A

    Mol. Formula:
    C23H30O6

    M.W.:
    402.49

    Type:
    Unknown

    AlogP:
    3.96

    Polar Surface Area:
    82.06

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  2. ALA4518135

    Name:
    Clinopodiolide D; 6,7,11,14-tetrahydro-14-deoxy-12
    Show More

    Mol. Formula:
    C21H28O4

    M.W.:
    344.45

    Type:
    Unknown

    AlogP:
    4.11

    Polar Surface Area:
    55.76

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  3. ALA4572137

    Name:
    (1S,4aR,10aS)-methyl 1-formyl-5-hydroxy-7-isopropy
    Show More

    Mol. Formula:
    C22H30O5

    M.W.:
    374.48

    Type:
    Unknown

    AlogP:
    3.89

    Polar Surface Area:
    72.83

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  4. ALA4099423

    Name:
    (2S,5S,8S,16R)-2,5-dibenzyl-16-((S)-3-(4-hydroxyph
    Show More

    Mol. Formula:
    C39H49N7O7

    M.W.:
    727.86

    Type:
    Small molecule

    AlogP:
    0.47

    Polar Surface Area:
    212.06

    HBA:
    8

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  5. ALA4100586

    Name:
    3-(4-Hydroxyimino-2-pyrrolo[1,2-c]pyrimidin-3-yl-4
    Show More

    Mol. Formula:
    C22H21N5O4

    M.W.:
    419.44

    Type:
    Small molecule

    AlogP:
    2.78

    Polar Surface Area:
    95.81

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  6. ALA4472179

    Name:
    Clinopodiolide C

    Mol. Formula:
    C20H26O4

    M.W.:
    330.42

    Type:
    Unknown

    AlogP:
    3.77

    Polar Surface Area:
    66.76

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  7. ALA4472157

    Name:
    Diacetylclinopodiolide A

    Mol. Formula:
    C25H32O7

    M.W.:
    444.52

    Type:
    Unknown

    AlogP:
    4.18

    Polar Surface Area:
    88.13

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  8. ALA4092850

    Name:
    6-[3-(2-Methyl-pyridin-4-yl)-propoxy]-2-pyrrolo[1,
    Show More

    Mol. Formula:
    C25H22N4O3

    M.W.:
    426.48

    Type:
    Small molecule

    AlogP:
    4.75

    Polar Surface Area:
    85.15

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  9. ALA4087301

    Name:
    (5S,8S,14S,22R)-5,8-dibenzyl-22-((S)-3-(4-hydroxyp
    Show More

    Mol. Formula:
    C44H57N9O9

    M.W.:
    855.99

    Type:
    Small molecule

    AlogP:
    -0.96

    Polar Surface Area:
    261.47

    HBA:
    10

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  10. ALA4085101

    Name:
    6-[2-(4,4-Difluoro-piperidin-1-yl)-ethoxy]-2-thien
    Show More

    Mol. Formula:
    C23H21F2N3O3S

    M.W.:
    457.50

    Type:
    Small molecule

    AlogP:
    5.11

    Polar Surface Area:
    71.09

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  11. ALA4072094

    Name:
    6-(3-Pyridin-3-yl-propoxy)-2-pyrrolo[1,2-c]pyrimid
    Show More

    Mol. Formula:
    C24H20N4O3

    M.W.:
    412.45

    Type:
    Small molecule

    AlogP:
    4.44

    Polar Surface Area:
    85.15

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  12. ALA4063474

    Name:
    6-(2-Morpholin-4-yl-ethoxy)-2-thieno[3,2-c]pyridin
    Show More

    Mol. Formula:
    C22H21N3O4S

    M.W.:
    423.49

    Type:
    Small molecule

    AlogP:
    3.71

    Polar Surface Area:
    80.32

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  13. ALA4062426

    Name:
    6-[2-(4-Dimethylaminopiperidin-1-yl)-ethoxy]-2-pyr
    Show More

    Mol. Formula:
    C25H29N5O3

    M.W.:
    447.54

    Type:
    Small molecule

    AlogP:
    3.44

    Polar Surface Area:
    78.74

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  14. ALA4082573

    Name:
    6-(1-Acetyl-piperidin-4-yloxy)-2-pyrrolo[1,2-c]pyr
    Show More

    Mol. Formula:
    C23H22N4O4

    M.W.:
    418.45

    Type:
    Small molecule

    AlogP:
    3.43

    Polar Surface Area:
    92.57

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  15. ALA4081400

    Name:
    (2S,5S,8S,16R)-2,5-dibenzyl-16-((S)-3-(4-hydroxyph
    Show More

    Mol. Formula:
    C40H51N7O7

    M.W.:
    741.89

    Type:
    Small molecule

    AlogP:
    0.81

    Polar Surface Area:
    203.27

    HBA:
    8

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  16. ALA4065881

    Name:
    (2S,8S,11S,19S)-2,8-dibenzyl-19-((R)-3-(4-hydroxyp
    Show More

    Mol. Formula:
    C42H54N8O8

    M.W.:
    798.94

    Type:
    Small molecule

    AlogP:
    -0.08

    Polar Surface Area:
    232.37

    HBA:
    9

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  17. ALA4593114

    Name:
    Triacetylclinopodiolide B

    Mol. Formula:
    C26H32O8

    M.W.:
    472.53

    Type:
    Unknown

    AlogP:
    4.10

    Polar Surface Area:
    105.20

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  18. ALA5208019

    Name:
    (E)-7-(3-(3,4-Dihydroxyphenyl)acryloyl)-3-(4-methy
    Show More

    Mol. Formula:
    C22H21NO5

    M.W.:
    379.41

    Type:
    ---

    AlogP:
    4.26

    Polar Surface Area:
    92.67

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  19. ALA5204013

    Name:
    Methyl (E)-2-(7-(3-(3,4-Dihydroxyphenyl)acryloyl)-
    Show More

    Mol. Formula:
    C19H15NO7

    M.W.:
    369.33

    Type:
    ---

    AlogP:
    2.07

    Polar Surface Area:
    118.97

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  20. ALA5193324

    Name:
    (E)-7-(3-(3,4-Dihydroxyphenyl)acryloyl)-3-(3-methy
    Show More

    Mol. Formula:
    C21H19NO5

    M.W.:
    365.39

    Type:
    ---

    AlogP:
    3.87

    Polar Surface Area:
    92.67

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
Page
per page