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  1. ALA5198785

    Name:
    N-(4-((E)-3,5-dimethoxy-2-((E)-2-nitrovinyl)styryl)phenyl)-1-naphthamide

    Mol. Formula:
    C29H24N2O5

    M.W.:
    480.52

    Type:
    ---

    AlogP:
    6.53

    Polar Surface Area:
    90.70

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  2. ALA5198758

    Name:
    ((R)-1-((S)-2-(2,5-Dichlorobenzamido)-3-hydroxypropanamido)-3-methylbutyl)bShow More

    Mol. Formula:
    C15H21BCl2N2O5

    M.W.:
    391.06

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA5198655

    Name:
    N-(4-((E)-3,5-dimethoxy-2-((E)-2-nitrovinyl)styryl)phenyl)-4-iodobenzamide

    Mol. Formula:
    C25H21IN2O5

    M.W.:
    556.36

    Type:
    ---

    AlogP:
    5.98

    Polar Surface Area:
    90.70

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  4. ALA5197214

    Name:
    N,N-dibutyl-4-((3-(5-chloro-2-methoxybenzyl)-4-oxo-2-thioxothiazolidin-5-ylShow More

    Mol. Formula:
    C26H31ClN2O4S3

    M.W.:
    567.20

    Type:
    ---

    AlogP:
    6.34

    Polar Surface Area:
    66.92

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  5. ALA5196947

    Name:
    N-(4-((E)-3,5-dimethoxy-2-((E)-2-nitrovinyl)styryl)phenyl)tetrahydrofuran-2Show More

    Mol. Formula:
    C23H24N2O6

    M.W.:
    424.45

    Type:
    ---

    AlogP:
    4.24

    Polar Surface Area:
    99.93

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  6. ALA5196758

    Name:
    N-(4-(N-(prop-2-yn-1-yl)sulfamoyl)phenethyl)-N-(2-propoxybenzyl)-2-(thiopheShow More

    Mol. Formula:
    C27H30N2O4S2

    M.W.:
    510.68

    Type:
    ---

    AlogP:
    4.26

    Polar Surface Area:
    75.71

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  7. ALA5196305

    Name:
    ((R)-1-((S)-2-(2,3-Dichlorobenzamido)-3-phenylpropanamido)-3-methylbutyl)boShow More

    Mol. Formula:
    C21H25BCl2N2O4

    M.W.:
    451.16

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA5196153

    Name:
    N-(4-((E)-3,5-dimethoxy-2-((E)-2-nitrovinyl)styryl)phenyl)picolinamide

    Mol. Formula:
    C24H21N3O5

    M.W.:
    431.45

    Type:
    ---

    AlogP:
    4.77

    Polar Surface Area:
    103.59

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  9. ALA5205803

    Name:
    Sodium ((4-(2-hydroxypropan-2-yl)furan-2-yl)sulfonyl)((4-methoxyphenyl)carbShow More

    Mol. Formula:
    C15H17N2NaO6S

    M.W.:
    376.37

    Type:
    ---

    AlogP:
    2.03

    Polar Surface Area:
    117.87

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  10. ALA5205215

    Name:
    2-(benzo[b]thiophen-3-yl)-N-(5-chloro-2-propoxybenzyl)-N-(4-(N-(prop-2-yn-1Show More

    Mol. Formula:
    C31H31ClN2O4S2

    M.W.:
    595.19

    Type:
    ---

    AlogP:
    6.07

    Polar Surface Area:
    75.71

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  11. ALA5204830

    Name:
    N-(5-chloro-2-propoxybenzyl)-N-(4-(morpholinosulfonyl)phenethyl)-2-(thiopheShow More

    Mol. Formula:
    C28H33ClN2O5S2

    M.W.:
    577.17

    Type:
    ---

    AlogP:
    5.03

    Polar Surface Area:
    76.15

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  12. ALA5204678

    Name:
    4-((3-(3-chlorobenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methyl)benzenesuShow More

    Mol. Formula:
    C17H13ClN2O3S3

    M.W.:
    424.96

    Type:
    ---

    AlogP:
    3.39

    Polar Surface Area:
    80.47

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  13. ALA5204615

    Name:
    4-((3-(5-chloro-2-methoxybenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methylShow More

    Mol. Formula:
    C26H23ClN2O4S3

    M.W.:
    559.13

    Type:
    ---

    AlogP:
    5.27

    Polar Surface Area:
    75.71

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  14. ALA5203350

    Name:
    N-(4-((E)-3,5-dimethoxy-2-((E)-2-nitrovinyl)styryl)phenyl)-3-methylbenzamidShow More

    Mol. Formula:
    C26H24N2O5

    M.W.:
    444.49

    Type:
    ---

    AlogP:
    5.68

    Polar Surface Area:
    90.70

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  15. ALA5202911

    Name:
    N-(4-((E)-3,5-dimethoxy-2-((E)-2-nitrovinyl)styryl)phenyl)-3-methoxybenzamiShow More

    Mol. Formula:
    C26H24N2O6

    M.W.:
    460.49

    Type:
    ---

    AlogP:
    5.38

    Polar Surface Area:
    99.93

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  16. ALA5202588

    Name:
    N-(2-amino-5-chlorobenzyl)-N-(4-(N-(prop-2-yn-1-yl)sulfamoyl)phenethyl)-2-(Show More

    Mol. Formula:
    C24H24ClN3O3S2

    M.W.:
    502.06

    Type:
    ---

    AlogP:
    3.71

    Polar Surface Area:
    92.50

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  17. ALA5201235

    Name:
    Sodium (benzo[d][1,3]dioxol-5-ylcarbamoyl)((4-(2-hydroxypropan-2-yl)furan-2Show More

    Mol. Formula:
    C15H15N2NaO7S

    M.W.:
    390.35

    Type:
    ---

    AlogP:
    1.75

    Polar Surface Area:
    127.10

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  18. ALA5200746

    Name:
    Callinteger B

    Mol. Formula:
    C23H32O5

    M.W.:
    388.50

    Type:
    ---

    AlogP:
    4.16

    Polar Surface Area:
    69.67

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  19. ALA5199809

    Name:
    4-((3-(5-chloro-2-methoxybenzyl)-4-oxo-2-thioxothiazolidin-5-ylidene)methylShow More

    Mol. Formula:
    C21H17ClN2O4S3

    M.W.:
    493.03

    Type:
    ---

    AlogP:
    3.66

    Polar Surface Area:
    75.71

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  20. ALA5199637

    Name:
    N-(benzo[d][1,3]dioxol-4-ylmethyl)-4-fluoro-N-(4-(N-(prop-2-yn-1-yl)sulfamoShow More

    Mol. Formula:
    C26H23FN2O5S

    M.W.:
    494.54

    Type:
    ---

    AlogP:
    3.35

    Polar Surface Area:
    84.94

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
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