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  1. ALA5270175

    Name:
    N-[1-benzyl-2-[4-(4-bromophenyl)-4-hydroxy-1-piperidyl]-2-oxo-ethyl]benzamiShow More

    Mol. Formula:
    C27H27BrN2O3

    M.W.:
    507.43

    Type:
    ---

    AlogP:
    4.30

    Polar Surface Area:
    69.64

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  2. ALA5283406

    Name:
    (2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(Show More

    Mol. Formula:
    C196H317N43O64S

    M.W.:
    4332.00

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA4763715

    Name:
    Saikosaponin B2

    Mol. Formula:
    C42H68O14

    M.W.:
    796.99

    Type:
    Unknown

    AlogP:
    1.00

    Polar Surface Area:
    239.22

    HBA:
    14

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  4. ALA4295185

    Name:
    Ethyl 7-benzyl-5-phenyl-1-(3,4,5-trimethoxybenzyl)-4,5,6,7-tetrahydro-1H-[1Show More

    Mol. Formula:
    C31H34N4O5

    M.W.:
    542.64

    Type:
    Small molecule

    AlogP:
    4.42

    Polar Surface Area:
    87.94

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  5. ALA4294877

    Name:
    1-(3-fluorobenzyl)-5-(4-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydro-1H-[1,2Show More

    Mol. Formula:
    C19H16F4N4

    M.W.:
    376.36

    Type:
    Small molecule

    AlogP:
    4.05

    Polar Surface Area:
    33.95

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  6. ALA4293785

    Name:
    1-hexyl-5-phenyl-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyridine

    Mol. Formula:
    C17H24N4

    M.W.:
    284.41

    Type:
    Small molecule

    AlogP:
    3.42

    Polar Surface Area:
    33.95

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  7. ALA4293372

    Name:
    1-(cyclopropylmethyl)-5-phenyl-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]Show More

    Mol. Formula:
    C15H18N4

    M.W.:
    254.34

    Type:
    Small molecule

    AlogP:
    2.25

    Polar Surface Area:
    33.95

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.84

    DETAILS
  8. ALA4292518

    Name:
    Ethyl 7-benzyl-1-(furan-2-ylmethyl)-5-phenyl-4,5,6,7-tetrahydro-1H-[1,2,3]tShow More

    Mol. Formula:
    C26H26N4O3

    M.W.:
    442.52

    Type:
    Small molecule

    AlogP:
    3.98

    Polar Surface Area:
    73.39

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  9. ALA4292092

    Name:
    Ethyl 7-benzyl-1-(2-methoxyphenethyl)-5-phenyl-4,5,6,7-tetrahydro-1H-[1,2,3Show More

    Mol. Formula:
    C30H32N4O3

    M.W.:
    496.61

    Type:
    Small molecule

    AlogP:
    4.59

    Polar Surface Area:
    69.48

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  10. ALA4291747

    Name:
    Ethyl 7-benzyl-1-(4-fluorobenzyl)-5-phenyl-4,5,6,7-tetrahydro-1H-[1,2,3]triShow More

    Mol. Formula:
    C28H27FN4O2

    M.W.:
    470.55

    Type:
    Small molecule

    AlogP:
    4.53

    Polar Surface Area:
    60.25

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  11. ALA4290180

    Name:
    Ethyl 7-benzyl-1-octyl-5-phenyl-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-cShow More

    Mol. Formula:
    C29H38N4O2

    M.W.:
    474.65

    Type:
    Small molecule

    AlogP:
    5.70

    Polar Surface Area:
    60.25

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  12. ALA4289994

    Name:
    1-(4-methoxyphenethyl)-5-phenyl-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-cShow More

    Mol. Formula:
    C20H22N4O

    M.W.:
    334.42

    Type:
    Small molecule

    AlogP:
    3.09

    Polar Surface Area:
    43.18

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  13. ALA4288674

    Name:
    Ethyl 1-(2-(1H-indol-2-yl)ethyl)-7-benzyl-5-phenyl-4,5,6,7-tetrahydro-1H-[1Show More

    Mol. Formula:
    C31H31N5O2

    M.W.:
    505.62

    Type:
    Small molecule

    AlogP:
    5.07

    Polar Surface Area:
    76.04

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  14. ALA4287918

    Name:
    Ethyl 1,7-dibenzyl-5-phenyl-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyrShow More

    Mol. Formula:
    C28H28N4O2

    M.W.:
    452.56

    Type:
    Small molecule

    AlogP:
    4.39

    Polar Surface Area:
    60.25

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  15. ALA4287600

    Name:
    5-(4-fluorophenyl)-1-hexyl-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-c]pyriShow More

    Mol. Formula:
    C17H23FN4

    M.W.:
    302.40

    Type:
    Small molecule

    AlogP:
    3.56

    Polar Surface Area:
    33.95

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  16. ALA4286970

    Name:
    1-(4-fluorobenzyl)-5-(4-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydro-1H-[1,2Show More

    Mol. Formula:
    C19H16F4N4

    M.W.:
    376.36

    Type:
    Small molecule

    AlogP:
    4.05

    Polar Surface Area:
    33.95

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  17. ALA4286568

    Name:
    1-(2-methoxyphenethyl)-5-(4-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydro-1H-Show More

    Mol. Formula:
    C21H21F3N4O

    M.W.:
    402.42

    Type:
    Small molecule

    AlogP:
    4.11

    Polar Surface Area:
    43.18

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  18. ALA4286429

    Name:
    Ethyl 7-benzyl-1-(4-chlorobenzyl)-5-phenyl-4,5,6,7-tetrahydro-1H-[1,2,3]triShow More

    Mol. Formula:
    C28H27ClN4O2

    M.W.:
    487.00

    Type:
    Small molecule

    AlogP:
    5.04

    Polar Surface Area:
    60.25

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  19. ALA4285539

    Name:
    1-(2-methoxyphenethyl)-5-phenyl-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[4,5-cShow More

    Mol. Formula:
    C20H22N4O

    M.W.:
    334.42

    Type:
    Small molecule

    AlogP:
    3.09

    Polar Surface Area:
    43.18

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  20. ALA4285333

    Name:
    Ethyl 7-benzyl-1-(2-chlorobenzyl)-5-phenyl-4,5,6,7-tetrahydro-1H-[1,2,3]triShow More

    Mol. Formula:
    C28H27ClN4O2

    M.W.:
    487.00

    Type:
    Small molecule

    AlogP:
    5.04

    Polar Surface Area:
    60.25

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
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