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

Items 1-20 of 43

Set Ascending Direction
Select all
  1. ALA5202745

    Name:
    6-methoxy-3-((1-phenethyl-1H-tetrazol-5-yl)(4-(3-(trifluoromethyl)phenyl)piShow More

    Mol. Formula:
    C31H30F3N7O2

    M.W.:
    589.62

    Type:
    ---

    AlogP:
    4.70

    Polar Surface Area:
    92.17

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  2. ALA5208038

    Name:
    N1-(4-Methoxyphenyl)-N2-(2-(4-methylpiperazin-1-yl)-2-phenylethyl)oxalamide

    Mol. Formula:
    C22H28N4O3

    M.W.:
    396.49

    Type:
    ---

    AlogP:
    1.74

    Polar Surface Area:
    73.91

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  3. ALA5207363

    Name:
    3-((4-Cyclohexylpiperazin-1-yl)(1-(pyridin-4-ylmethyl)-1H-tetrazol-5-yl)metShow More

    Mol. Formula:
    C29H36N8O3

    M.W.:
    544.66

    Type:
    ---

    AlogP:
    3.01

    Polar Surface Area:
    114.29

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  4. ALA5181457

    Name:
    N-(4-Methoxyphenyl)-2-oxo-2-(4-phenylpiperazin-1-yl)acetamide

    Mol. Formula:
    C19H21N3O3

    M.W.:
    339.40

    Type:
    ---

    AlogP:
    1.98

    Polar Surface Area:
    61.88

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  5. GT 949

    Name:
    3-((4-cyclohexylpiperazin-1-yl)(1-phenethyl-1H-tetrazol-5-yl)methyl)-6-methShow More

    Mol. Formula:
    C30H37N7O2

    M.W.:
    527.67

    Type:
    ---

    AlogP:
    3.81

    Polar Surface Area:
    92.17

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  6. ALA4177507

    Name:
    (L-threo)-4-[(9H-Fluoren-2-yl)amino]-2-amino-3-(benzyloxy)-4-oxobutanoic AcShow More

    Mol. Formula:
    C24H22N2O4

    M.W.:
    402.45

    Type:
    Small molecule

    AlogP:
    3.19

    Polar Surface Area:
    101.65

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  7. ALA4177165

    Name:
    3-(Furan-3-ylmethoxy)aspartate

    Mol. Formula:
    C9H11NO6

    M.W.:
    229.19

    Type:
    Small molecule

    AlogP:
    -0.34

    Polar Surface Area:
    122.99

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  8. ALA4176899

    Name:
    (DL-erythro)-3-(Thiophen-3-ylmethoxy)aspartate

    Mol. Formula:
    C9H11NO5S

    M.W.:
    245.26

    Type:
    Small molecule

    AlogP:
    0.13

    Polar Surface Area:
    109.85

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  9. ALA4176482

    Name:
    (L-threo)-2-Amino-3-(benzyloxy)-4-[[4-(2-bromo-4,5-difluorophenoxy)phenyl]aShow More

    Mol. Formula:
    C23H19BrF2N2O5

    M.W.:
    521.31

    Type:
    Small molecule

    AlogP:
    4.46

    Polar Surface Area:
    110.88

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  10. ALA4173825

    Name:
    3-(Cyclobutylmethoxy)aspartate

    Mol. Formula:
    C9H15NO5

    M.W.:
    217.22

    Type:
    Small molecule

    AlogP:
    -0.33

    Polar Surface Area:
    109.85

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  11. ALA4169695

    Name:
    (L-threo)-3-(Thiophen-3-ylmethoxy)aspartate

    Mol. Formula:
    C9H11NO5S

    M.W.:
    245.26

    Type:
    Small molecule

    AlogP:
    0.13

    Polar Surface Area:
    109.85

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  12. ALA4168620

    Name:
    (DL-erythro)-3-(Prop-2-yn-1-yloxy)aspartate

    Mol. Formula:
    C6H8N2O5

    M.W.:
    188.14

    Type:
    Small molecule

    AlogP:
    -1.61

    Polar Surface Area:
    133.64

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  13. ALA4166966

    Name:
    (L-threo)-3-(Prop-2-yn-1-yloxy)aspartate

    Mol. Formula:
    C7H9NO5

    M.W.:
    187.15

    Type:
    Small molecule

    AlogP:
    -1.50

    Polar Surface Area:
    109.85

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  14. ALA4166545

    Name:
    3-(Furan-2-ylmethoxy)aspartate

    Mol. Formula:
    C9H11NO6

    M.W.:
    229.19

    Type:
    Small molecule

    AlogP:
    -0.34

    Polar Surface Area:
    122.99

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  15. ALA4166282

    Name:
    (DL-threo)-3-(Prop-2-yn-1-yloxy)aspartate

    Mol. Formula:
    C6H8N2O5

    M.W.:
    188.14

    Type:
    Small molecule

    AlogP:
    -1.61

    Polar Surface Area:
    133.64

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  16. ALA4165574

    Name:
    3-(Cyclopentylmethoxy)aspartate

    Mol. Formula:
    C10H17NO5

    M.W.:
    231.25

    Type:
    Small molecule

    AlogP:
    0.06

    Polar Surface Area:
    109.85

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  17. ALA4164207

    Name:
    3-(Cyclohexylmethoxy)aspartate

    Mol. Formula:
    C11H19NO5

    M.W.:
    245.27

    Type:
    Small molecule

    AlogP:
    0.45

    Polar Surface Area:
    109.85

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  18. ALA4163625

    Name:
    3-(Cycloheptylmethoxy)aspartate

    Mol. Formula:
    C12H21NO5

    M.W.:
    259.30

    Type:
    Small molecule

    AlogP:
    0.84

    Polar Surface Area:
    109.85

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  19. ALA4163105

    Name:
    3-(Thiophen-2-ylmethoxy)aspartate

    Mol. Formula:
    C9H11NO5S

    M.W.:
    245.26

    Type:
    Small molecule

    AlogP:
    0.13

    Polar Surface Area:
    109.85

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  20. ALA4161764

    Name:
    (DL-erythro)-3-(Cyclopropylmethoxy)aspartate

    Mol. Formula:
    C8H13NO5

    M.W.:
    203.19

    Type:
    Small molecule

    AlogP:
    -0.72

    Polar Surface Area:
    109.85

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
Page
per page