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Items 1-20 of 124

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  1. ALA5197135

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

    Mol. Formula:
    C22H38N8O5

    M.W.:
    494.60

    Type:
    ---

    AlogP:
    -0.70

    Polar Surface Area:
    197.90

    HBA:
    12

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  2. ALA5184605

    Name:
    Sinefugin

    Mol. Formula:
    C15H23N7O5

    M.W.:
    381.39

    Type:
    ---

    AlogP:
    -2.06

    Polar Surface Area:
    208.65

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  3. ALA4648639

    Name:
    2-(4-isopropylphenyl)cyclohexa-2,5-diene-1,4-dione

    Cas Number:
    618395-11-2

    Mol. Formula:
    C15H14O2

    M.W.:
    226.28

    Type:
    Unknown

    AlogP:
    2.90

    Polar Surface Area:
    34.14

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.73

    DETAILS
  4. ALA4648318

    Name:
    N-(5-(3,6-dioxocyclohexa-1,4-dienyl)-2-(pyrrolidin
    Show More

    Mol. Formula:
    C24H24N2O5S

    M.W.:
    452.53

    Type:
    Unknown

    AlogP:
    3.18

    Polar Surface Area:
    92.78

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  5. ALA4647903

    Name:
    N-(5-(3,6-dioxocyclohexa-1,4-dienyl)-2-(morpholino
    Show More

    Mol. Formula:
    C24H24N2O5S

    M.W.:
    452.53

    Type:
    Unknown

    AlogP:
    2.72

    Polar Surface Area:
    92.78

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  6. ALA4647178

    Name:
    4-chloro-N-(5-(3,6-dioxocyclohexa-1,4-dienyl)-2-(m
    Show More

    Mol. Formula:
    C23H21ClN2O5S

    M.W.:
    472.95

    Type:
    Unknown

    AlogP:
    3.06

    Polar Surface Area:
    92.78

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  7. ALA4646708

    Name:
    tert-butyl 4-(3'-cyanobiphenylcarbonyl)piperazine-
    Show More

    Mol. Formula:
    C23H25N3O3

    M.W.:
    391.47

    Type:
    Unknown

    AlogP:
    3.92

    Polar Surface Area:
    73.64

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  8. ALA4645963

    Name:
    tert-butyl 4-(2-(4-chlorophenylsulfonamido)-4-(3,6
    Show More

    Mol. Formula:
    C28H30ClN3O6S

    M.W.:
    572.08

    Type:
    Unknown

    AlogP:
    4.28

    Polar Surface Area:
    113.09

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  9. ALA4645857

    Name:
    2',5'-dimethoxy-4-(pyrrolidin-1-ylmethyl)biphenyl-
    Show More

    Mol. Formula:
    C19H24N2O2

    M.W.:
    312.41

    Type:
    Unknown

    AlogP:
    3.55

    Polar Surface Area:
    47.72

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  10. ALA4645807

    Name:
    N-(5-(3,6-dioxocyclohexa-1,4-dienyl)-2-(morpholino
    Show More

    Mol. Formula:
    C23H21N3O7S

    M.W.:
    483.50

    Type:
    Unknown

    AlogP:
    2.32

    Polar Surface Area:
    135.92

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  11. ALA4645663

    Name:
    2,4,6-trichlorophenyl ethenesulfonate

    Mol. Formula:
    C8H5Cl3O3S

    M.W.:
    287.55

    Type:
    Unknown

    AlogP:
    3.50

    Polar Surface Area:
    43.37

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  12. ALA4645328

    Name:
    2-(5-(piperazine-1-carbonyl)furan-2-yl)cyclohexa-2
    Show More

    Mol. Formula:
    C15H14N2O4

    M.W.:
    286.29

    Type:
    Unknown

    AlogP:
    0.42

    Polar Surface Area:
    79.62

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  13. ALA4644194

    Name:
    tert-butyl 4-(4'-cyanobiphenylcarbonyl)piperazine-
    Show More

    Mol. Formula:
    C23H25N3O3

    M.W.:
    391.47

    Type:
    Unknown

    AlogP:
    3.92

    Polar Surface Area:
    73.64

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  14. ALA4642804

    Name:
    2-(4-bromophenyl)cyclohexa-2,5-diene-1,4-dione

    Cas Number:
    30100-33-5

    Mol. Formula:
    C12H7BrO2

    M.W.:
    263.09

    Type:
    Unknown

    AlogP:
    2.54

    Polar Surface Area:
    34.14

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.73

    DETAILS
  15. ALA4642542

    Name:
    1-((2',5'-dimethoxy-3-nitrobiphenyl-4-yl)methyl)py
    Show More

    Mol. Formula:
    C19H22N2O4

    M.W.:
    342.40

    Type:
    Unknown

    AlogP:
    3.87

    Polar Surface Area:
    64.84

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  16. ALA4642263

    Name:
    tert-butyl 4-(4-(3,6-dioxocyclohexa-1,4-dienyl)ben
    Show More

    Mol. Formula:
    C23H26N2O5

    M.W.:
    410.47

    Type:
    Unknown

    AlogP:
    2.86

    Polar Surface Area:
    83.99

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  17. ALA4641837

    Name:
    tert-butyl 4-((3-amino-2',5'-dimethoxybiphenyl-4-y
    Show More

    Mol. Formula:
    C24H33N3O4

    M.W.:
    427.55

    Type:
    Unknown

    AlogP:
    4.01

    Polar Surface Area:
    77.26

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  18. ALA4641699

    Name:
    tert-butyl 4-((2',5'-dimethoxybiphenyl-4-yl)methyl
    Show More

    Mol. Formula:
    C24H32N2O4

    M.W.:
    412.53

    Type:
    Unknown

    AlogP:
    4.42

    Polar Surface Area:
    51.24

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  19. ALA4641673

    Name:
    N-(5-(3,6-dioxocyclohexa-1,4-dienyl)-2-(pyrrolidin
    Show More

    Mol. Formula:
    C21H26N2O4S

    M.W.:
    402.52

    Type:
    Unknown

    AlogP:
    2.92

    Polar Surface Area:
    83.55

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  20. ALA4641533

    Name:
    N-(5-(3,6-dioxocyclohexa-1,4-dienyl)-2-(pyrrolidin
    Show More

    Mol. Formula:
    C24H21F3N2O4S

    M.W.:
    490.50

    Type:
    Unknown

    AlogP:
    4.19

    Polar Surface Area:
    83.55

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
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