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  1. ALA4513485

    Name:
    Phenethyl (E)-3-(3,4,5-trimethoxyphenyl)acrylate

    Mol. Formula:
    C20H22O5

    M.W.:
    342.39

    Type:
    Unknown

    AlogP:
    3.51

    Polar Surface Area:
    53.99

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  2. ALA4513389

    Name:
    7-(2-Chlorophenyl)-5-(4-methoxyphenyl)-4,7-dihydro
    Show More

    Mol. Formula:
    C18H15ClN2O4S

    M.W.:
    390.85

    Type:
    Unknown

    AlogP:
    3.47

    Polar Surface Area:
    70.42

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  3. ALA4476735

    Name:
    (E)-1-(4-(2-(4-benzylpiperidin-1-yl)ethoxy)-2-hydr
    Show More

    Mol. Formula:
    C43H50N2O4

    M.W.:
    658.88

    Type:
    Unknown

    AlogP:
    7.96

    Polar Surface Area:
    62.24

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  4. ALA4476479

    Name:
    N-(1-benzylpiperidin-4-yl)-7-((1-(2,3-dichlorobenz
    Show More

    Mol. Formula:
    C32H29Cl2N5O4

    M.W.:
    618.52

    Type:
    Unknown

    AlogP:
    5.71

    Polar Surface Area:
    102.49

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  5. ALA4476091

    Name:
    (E)-1-(2-hydroxy-4-((6-(pyrrolidin-1-yl)hexyl)oxy)
    Show More

    Mol. Formula:
    C25H31NO3

    M.W.:
    393.53

    Type:
    Unknown

    AlogP:
    5.32

    Polar Surface Area:
    49.77

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  6. ALA4476086

    Name:
    2-(4-(4-chlorobenzyl)piperazin-1-yl)benzo[d]oxazol
    Show More

    Mol. Formula:
    C18H19ClN4O

    M.W.:
    342.83

    Type:
    Unknown

    AlogP:
    3.39

    Polar Surface Area:
    58.53

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  7. ALA4474948

    Name:
    (4-(5-aminobenzo[d]oxazol-2-yl)piperazin-1-yl)(3-c
    Show More

    Mol. Formula:
    C18H17ClN4O2

    M.W.:
    356.81

    Type:
    Unknown

    AlogP:
    3.03

    Polar Surface Area:
    75.60

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  8. ALA4474824

    Name:
    (E)-1-(2-hydroxy-4-((6-(piperidin-1-yl)hexyl)oxy)p
    Show More

    Mol. Formula:
    C37H54N2O4

    M.W.:
    590.85

    Type:
    Unknown

    AlogP:
    8.14

    Polar Surface Area:
    62.24

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  9. ALA4474812

    Name:
    2-(4-((4-benzylpiperazin-1-yl)methyl)phenyl)benzo[
    Show More

    Mol. Formula:
    C25H25N3O

    M.W.:
    383.50

    Type:
    Unknown

    AlogP:
    4.81

    Polar Surface Area:
    32.51

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  10. ALA4474675

    Name:
    2-(4-(4-fluorophenyl)piperazin-1-yl)benzo[d]oxazol
    Show More

    Mol. Formula:
    C17H17FN4O

    M.W.:
    312.35

    Type:
    Unknown

    AlogP:
    2.88

    Polar Surface Area:
    58.53

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  11. ALA4474289

    Name:
    3-(2-hydroxynicotinamido)phenyl ethyl(methyl)carba
    Show More

    Mol. Formula:
    C16H17N3O4

    M.W.:
    315.33

    Type:
    Unknown

    AlogP:
    2.49

    Polar Surface Area:
    91.76

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.90

    DETAILS
  12. ALA4474224

    Name:
    2-(4-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-y
    Show More

    Mol. Formula:
    C18H20N10O

    M.W.:
    392.43

    Type:
    Unknown

    AlogP:
    0.46

    Polar Surface Area:
    120.23

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  13. ALA4540199

    Name:
    (E)-1-(4-(3-(diethylamino)propoxy)-2-hydroxyphenyl
    Show More

    Mol. Formula:
    C29H42N2O4

    M.W.:
    482.67

    Type:
    Unknown

    AlogP:
    5.51

    Polar Surface Area:
    62.24

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  14. ALA4540064

    Name:
    7-(3-Chlorophenyl)-4-(3-fluorophenyl)-5-methyl-4,7
    Show More

    Mol. Formula:
    C18H14ClFN2O3S

    M.W.:
    392.84

    Type:
    Unknown

    AlogP:
    3.83

    Polar Surface Area:
    61.19

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  15. ALA4539870

    Name:
    N-(4-(benzo[d]oxazol-2-yl)benzyl)-N-benzylethanami
    Show More

    Mol. Formula:
    C23H22N2O

    M.W.:
    342.44

    Type:
    Unknown

    AlogP:
    5.52

    Polar Surface Area:
    29.27

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  16. ALA4539779

    Name:
    4-(4-Bromo-3-methylphenyl)-7-(2-chlorophenyl)-5-cy
    Show More

    Mol. Formula:
    C21H18BrClN2O3S

    M.W.:
    493.81

    Type:
    Unknown

    AlogP:
    5.33

    Polar Surface Area:
    61.19

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  17. ALA4539519

    Name:
    2-Hydroxyphenethyl (E)-3-(3,4-bis(allyloxy)phenyl)
    Show More

    Mol. Formula:
    C23H24O5

    M.W.:
    380.44

    Type:
    Unknown

    AlogP:
    4.32

    Polar Surface Area:
    64.99

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  18. ALA4538773

    Name:
    Pallidol

    Mol. Formula:
    C28H22O6

    M.W.:
    454.48

    Type:
    Unknown

    AlogP:
    5.08

    Polar Surface Area:
    121.38

    HBA:
    6

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  19. ALA4538554

    Name:
    3-Methyl-4-naphthalen-2-yl-1-phenyl-4,5-dihydro-1H
    Show More

    Mol. Formula:
    C22H18N2O3S

    M.W.:
    390.46

    Type:
    Unknown

    AlogP:
    4.19

    Polar Surface Area:
    61.19

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  20. ALA4538208

    Name:
    2-(4-Benzylpiperidin-1-yl)-N-(1-benzylpyrrolidin-3
    Show More

    Mol. Formula:
    C25H33N3O

    M.W.:
    391.56

    Type:
    Unknown

    AlogP:
    3.33

    Polar Surface Area:
    35.58

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
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