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  1. ALA5267660

    Name:
    (4-((4-((3-(4-fluorobenzyl)-2,4-dioxothiazolidin-5-ylidene)methyl)-2-methoxShow More

    Mol. Formula:
    C25H21BFNO6S

    M.W.:
    493.32

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA5266101

    Name:
    3,5-dichlorobenzyl 4-(1-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbShow More

    Mol. Formula:
    C23H24BCl2N3O5

    M.W.:
    504.18

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA5286227

    Name:
    4-((4-(5-(3,4-dichlorobenzylidene)-4-oxo-4,5-dihydrothiazol-2-yl)piperazin-Show More

    Mol. Formula:
    C22H19Cl2N3O3S

    M.W.:
    476.39

    Type:
    ---

    AlogP:
    4.48

    Polar Surface Area:
    73.21

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  4. ALA5269381

    Name:
    Aiprenon

    Mol. Formula:
    C23H27ClN4O3

    M.W.:
    442.95

    Type:
    ---

    AlogP:
    4.31

    Polar Surface Area:
    79.84

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  5. ALA5197507

    Name:
    3,4-Difluorobenzyl (1-ethyl-5-(4-(morpholinomethyl)thiazol-2-yl)-1H-indol-3Show More

    Mol. Formula:
    C26H26F2N4O3S

    M.W.:
    512.58

    Type:
    ---

    AlogP:
    5.64

    Polar Surface Area:
    68.62

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  6. ALA5204769

    Name:
    4-(trifluoromethyl)benzyl (2-ethyl-6-(4-((4-ethylpiperazin-1-yl)methyl)phenShow More

    Mol. Formula:
    C32H36F3N5O2

    M.W.:
    579.67

    Type:
    ---

    AlogP:
    6.78

    Polar Surface Area:
    62.11

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  7. ALA5204526

    Name:
    3,4-difluorobenzyl (2-ethyl-8-methyl-6-(4-((4-methylpiperazin-1-yl)methyl)pShow More

    Mol. Formula:
    C30H33F2N5O2

    M.W.:
    533.62

    Type:
    ---

    AlogP:
    5.65

    Polar Surface Area:
    62.11

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  8. ALA5204085

    Name:
    3,4-Difluorobenzyl (1-ethyl-5-(4-(pyrrolidin-1-ylmethyl)thiazol-2-yl)-1H-inShow More

    Mol. Formula:
    C26H26F2N4O2S

    M.W.:
    496.58

    Type:
    ---

    AlogP:
    6.41

    Polar Surface Area:
    59.39

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  9. ALA5204000

    Name:
    3,4-difluorobenzyl (2-ethyl-6-(4-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)Show More

    Mol. Formula:
    C31H35F2N5O3

    M.W.:
    563.65

    Type:
    ---

    AlogP:
    5.01

    Polar Surface Area:
    82.34

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  10. ALA5203510

    Name:
    1-Benzyl-3-(1-ethyl-5-(4-((4-methylpiperazin-1-yl)methyl)thiazol-2-yl)-1H-iShow More

    Mol. Formula:
    C27H32N6OS

    M.W.:
    488.66

    Type:
    ---

    AlogP:
    4.85

    Polar Surface Area:
    65.43

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  11. ALA5202031

    Name:
    2,3-Dichlorobenzyl (1-ethyl-5-(4-(morpholinomethyl)thiazol-2-yl)-1H-indol-3Show More

    Mol. Formula:
    C26H26Cl2N4O3S

    M.W.:
    545.49

    Type:
    ---

    AlogP:
    6.67

    Polar Surface Area:
    68.62

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  12. ALA5202002

    Name:
    Benzyl (1-ethyl-5-(4-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)thiazol-2-ylShow More

    Mol. Formula:
    C28H33N5O3S

    M.W.:
    519.67

    Type:
    ---

    AlogP:
    4.64

    Polar Surface Area:
    82.86

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  13. ALA5201741

    Name:
    (S)-1-Benzyl-3-(1-ethyl-5-(4-((2-(hydroxymethyl)pyrrolidin-1-yl)methyl)thiaShow More

    Mol. Formula:
    C27H31N5O2S

    M.W.:
    489.65

    Type:
    ---

    AlogP:
    5.06

    Polar Surface Area:
    82.42

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  14. ALA5201612

    Name:
    1-(1-Ethyl-5-(4-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)thiazol-2-yl)-1H-Show More

    Mol. Formula:
    C28H33FN6O2S

    M.W.:
    536.68

    Type:
    ---

    AlogP:
    4.36

    Polar Surface Area:
    85.66

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  15. ALA5201210

    Name:
    3,5-dichlorobenzyl (2-ethyl-8-methyl-6-(4-(morpholinomethyl)phenyl)imidazo[Show More

    Mol. Formula:
    C29H30Cl2N4O3

    M.W.:
    553.49

    Type:
    ---

    AlogP:
    6.76

    Polar Surface Area:
    68.10

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  16. ALA5200527

    Name:
    3,4-difluorobenzyl (2-ethyl-8-methyl-6-(4-(thiomorpholinomethyl)phenyl)imidShow More

    Mol. Formula:
    C29H30F2N4O2S

    M.W.:
    536.65

    Type:
    ---

    AlogP:
    6.45

    Polar Surface Area:
    58.87

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  17. ALA5200511

    Name:
    1-(4-chlorobenzyl)-3-(1-ethyl-5-(4-(morpholinomethyl)thiazol-2-yl)-1H-indolShow More

    Mol. Formula:
    C26H28ClN5O2S

    M.W.:
    510.06

    Type:
    ---

    AlogP:
    5.59

    Polar Surface Area:
    71.42

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  18. ALA5200277

    Name:
    3,5-Dichlorobenzyl (1-ethyl-5-(4-(pyrrolidin-1-ylmethyl)thiazol-2-yl)-1H-inShow More

    Mol. Formula:
    C26H26Cl2N4O2S

    M.W.:
    529.49

    Type:
    ---

    AlogP:
    7.44

    Polar Surface Area:
    59.39

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  19. ALA5200077

    Name:
    3,5-dichlorobenzyl (2-ethyl-8-methyl-6-(4-(pyrrolidin-1-ylmethyl)phenyl)imiShow More

    Mol. Formula:
    C29H30Cl2N4O2

    M.W.:
    537.49

    Type:
    ---

    AlogP:
    7.52

    Polar Surface Area:
    58.87

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  20. ALA5199962

    Name:
    1-(5-(4-((bis(2-hydroxyethyl)amino)methyl)thiazol-2-yl)-1-ethyl-1H-indol-3-Show More

    Mol. Formula:
    C26H30ClN5O3S

    M.W.:
    528.08

    Type:
    ---

    AlogP:
    4.55

    Polar Surface Area:
    102.65

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
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