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

13 Items

Set Ascending Direction
Select all
  1. ALA4589361

    Name:
    N-(2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)-5-methylbenzyl)acetamide

    Mol. Formula:
    C14H18N4O

    M.W.:
    258.32

    Type:
    Unknown

    AlogP:
    1.83

    Polar Surface Area:
    59.81

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  2. ALA4587486

    Name:
    1-methyl-4H,6H-benzo[e][1,2,4]triazolo[3,4-c][1,4]oxazepine

    Mol. Formula:
    C11H11N3O

    M.W.:
    201.23

    Type:
    Unknown

    AlogP:
    1.61

    Polar Surface Area:
    39.94

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  3. ALA4576037

    Name:
    N-(2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)benzyl)acetamide

    Mol. Formula:
    C13H16N4O

    M.W.:
    244.30

    Type:
    Unknown

    AlogP:
    1.52

    Polar Surface Area:
    59.81

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  4. ALA4542222

    Name:
    N-(5-bromo-2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)benzyl)acetamide

    Mol. Formula:
    C13H15BrN4O

    M.W.:
    323.19

    Type:
    Unknown

    AlogP:
    2.28

    Polar Surface Area:
    59.81

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.94

    DETAILS
  5. ALA4539467

    Name:
    1-(2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)benzyl)-3-methylurea

    Mol. Formula:
    C13H17N5O

    M.W.:
    259.31

    Type:
    Unknown

    AlogP:
    1.31

    Polar Surface Area:
    71.84

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  6. ALA4538578

    Name:
    (S)-N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

    Mol. Formula:
    C14H20N2O

    M.W.:
    232.33

    Type:
    Unknown

    AlogP:
    1.62

    Polar Surface Area:
    41.13

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.77

    DETAILS
  7. ALA4469558

    Name:
    2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)benzoic acid

    Mol. Formula:
    C11H11N3O2

    M.W.:
    217.23

    Type:
    Unknown

    AlogP:
    1.58

    Polar Surface Area:
    68.01

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.83

    DETAILS
  8. ALA4461772

    Name:
    N-(5-cyclopropyl-2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)benzyl)acetamide

    Mol. Formula:
    C16H20N4O

    M.W.:
    284.36

    Type:
    Unknown

    AlogP:
    2.40

    Polar Surface Area:
    59.81

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.94

    DETAILS
  9. ALA4456448

    Name:
    (S)-N-((S)-1-(((2S,3R)-1-((2-(((4-(2-(acetamidomethyl)phenyl)-5-methyl-4H-1Show More

    Mol. Formula:
    C30H48N10O7

    M.W.:
    660.78

    Type:
    Unknown

    AlogP:
    -2.65

    Polar Surface Area:
    245.93

    HBA:
    12

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  10. ALA4455427

    Name:
    N-(5-chloro-2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)benzyl)acetamide

    Mol. Formula:
    C13H15ClN4O

    M.W.:
    278.74

    Type:
    Unknown

    AlogP:
    2.17

    Polar Surface Area:
    59.81

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.94

    DETAILS
  11. ALA4453131

    Name:
    N-(2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)benzyl)methanesulfonamide

    Mol. Formula:
    C12H16N4O2S

    M.W.:
    280.35

    Type:
    Unknown

    AlogP:
    0.93

    Polar Surface Area:
    76.88

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.90

    DETAILS
  12. ALA4451286

    Name:
    N-(5-cyano-2-(3,5-dimethyl-4H-1,2,4-triazol-4-yl)benzyl)acetamide

    Mol. Formula:
    C14H15N5O

    M.W.:
    269.31

    Type:
    Unknown

    AlogP:
    1.39

    Polar Surface Area:
    83.60

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  13. ALA3397332

    Name:
    (S)-2-amino-4-(((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahShow More

    Mol. Formula:
    C24H29N9O4S

    M.W.:
    539.62

    Type:
    Small molecule

    AlogP:
    0.18

    Polar Surface Area:
    203.11

    HBA:
    12

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
per page