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  1. ALA4793552

    Name:
    N-[[5-Chloro-3-[5-cyano-4-[2-iodo-5-(trifluoromethyl)phenyl]-6-oxo-1H-pyridShow More

    Mol. Formula:
    C30H29ClF3IN4O3

    M.W.:
    712.94

    Type:
    Unknown

    AlogP:
    6.64

    Polar Surface Area:
    100.43

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  2. ALA4645530

    Name:
    N-(3-((4-Fluorophenyl)amino)quinoxalin-2-yl)benzamide

    Mol. Formula:
    C21H15FN4O

    M.W.:
    358.38

    Type:
    Unknown

    AlogP:
    4.76

    Polar Surface Area:
    66.91

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  3. ALA4645485

    Name:
    5-(6-(2-(2-(2,4-dichlorobenzyloxy)benzylidene)hydrazinyl)-[1,2,5]oxadiazoloShow More

    Mol. Formula:
    C25H15Cl2N9O3

    M.W.:
    560.36

    Type:
    Unknown

    AlogP:
    4.46

    Polar Surface Area:
    152.14

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  4. ALA4643757

    Name:
    N-(3-((4-Fluorophenyl)amino)quinoxalin-2-yl)benzo[d][1,3]-dioxole-5-carboxaShow More

    Mol. Formula:
    C22H15FN4O3

    M.W.:
    402.39

    Type:
    Unknown

    AlogP:
    4.49

    Polar Surface Area:
    85.37

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  5. ALA4640789

    Name:
    6-(2-((5-(4-chloro-3-nitrophenyl)furan-2-yl)methylene)hydrazinyl)-N-(2,3-diShow More

    Mol. Formula:
    C23H17ClN8O4

    M.W.:
    504.89

    Type:
    Unknown

    AlogP:
    5.64

    Polar Surface Area:
    157.40

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  6. ALA4637348

    Name:
    3-(5-((2-(6-(2,3-dimethylphenylamino)-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-yl)Show More

    Mol. Formula:
    C24H19N7O4

    M.W.:
    469.46

    Type:
    Unknown

    AlogP:
    4.78

    Polar Surface Area:
    151.56

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  7. ALA4634108

    Name:
    N-(2,3-dimethylphenyl)-6-(2-((6-nitrobenzo[d][1,3]dioxol-5-yl)methylene)hydShow More

    Mol. Formula:
    C20H16N8O5

    M.W.:
    448.40

    Type:
    Unknown

    AlogP:
    3.46

    Polar Surface Area:
    162.72

    HBA:
    12

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  8. ALA4633484

    Name:
    ethyl 4-(6-(2-((3-phenyl-1H-pyrazol-4-yl)methylene)hydrazinyl)-[1,2,5]oxadiShow More

    Mol. Formula:
    C23H19N9O3

    M.W.:
    469.47

    Type:
    Unknown

    AlogP:
    3.77

    Polar Surface Area:
    156.10

    HBA:
    11

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  9. ALA4633379

    Name:
    N-(4-bromophenyl)-6-(2-((5-(3-chloro-4-methylphenyl)furan-2-yl)methylene)hyShow More

    Mol. Formula:
    C22H15BrClN7O2

    M.W.:
    524.77

    Type:
    Unknown

    AlogP:
    6.19

    Polar Surface Area:
    114.26

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  10. ALA4070476

    Name:
    Sepantronium Bromide

    Mol. Formula:
    C20H25BrN4O

    M.W.:
    417.35

    Type:
    Small molecule

    AlogP:
    1.91

    Polar Surface Area:
    41.26

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  11. 2-[4-[4-[3,4-bis[2-(diethylamino)ethoxy]phenyl]butyl]-2-[2-(diethylamino)ethoxy]phenoxy]-N,N-diethylethanamine

    Name:
    {2-[4-{4-[3,4-Bis-(2-diethylamino-ethoxy)-phenyl]-butyl}-2-(2-diethylamino-Show More

    Mol. Formula:
    C40H70N4O4

    M.W.:
    671.02

    Type:
    Small molecule

    AlogP:
    7.13

    Polar Surface Area:
    49.88

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    29

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  12. ALA2424941

    Name:
    4-(3-(benzyloxy)phenyl)-6-(5-chloro-2-hydroxy-3-iodophenyl)-2-oxo-1,2-dihydShow More

    Mol. Formula:
    C25H16ClIN2O3

    M.W.:
    554.77

    Type:
    Small molecule

    AlogP:
    6.12

    Polar Surface Area:
    86.11

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  13. ALA2424940

    Name:
    6-(5-chloro-2-hydroxyphenyl)-2-oxo-4-phenyl-1,2-dihydropyridine-3-carbonitrShow More

    Mol. Formula:
    C18H11ClN2O2

    M.W.:
    322.75

    Type:
    Small molecule

    AlogP:
    3.94

    Polar Surface Area:
    76.88

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  14. ALA2424939

    Name:
    4-(3,5-bis(benzyloxy)phenyl)-6-(5-chloro-2-hydroxyphenyl)-2-oxo-1,2-dihydroShow More

    Mol. Formula:
    C32H23ClN2O4

    M.W.:
    535.00

    Type:
    Small molecule

    AlogP:
    7.10

    Polar Surface Area:
    95.34

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  15. ALA396856

    Name:
    N-(5-chloro-3-(4-(2-chloro-5-(trifluoromethyl)phenyl)-5-cyano-6-oxo-1,6-dihShow More

    Mol. Formula:
    C32H33Cl2F3N4O3

    M.W.:
    649.54

    Type:
    Small molecule

    AlogP:
    7.47

    Polar Surface Area:
    100.43

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  16. ALA234358

    Name:
    N-(5-chloro-3-(4-(2-chloro-5-(trifluoromethyl)phenyl)-5-cyano-6-oxo-1,6-dihShow More

    Mol. Formula:
    C30H29Cl2F3N4O3

    M.W.:
    621.49

    Type:
    Small molecule

    AlogP:
    6.69

    Polar Surface Area:
    100.43

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  17. ALA234421

    Name:
    N-(5-chloro-3-(4-(2-chloro-5-(trifluoromethyl)phenyl)-5-cyano-6-oxo-1,6-dihShow More

    Mol. Formula:
    C34H33Cl2F3N4O4

    M.W.:
    689.56

    Type:
    Small molecule

    AlogP:
    7.39

    Polar Surface Area:
    117.50

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  18. ALA272921

    Name:
    N-(5-chloro-3-(4-(2-chloro-5-(trifluoromethyl)phenyl)-5-cyano-6-oxo-1,6-dihShow More

    Mol. Formula:
    C31H29Cl2F3N4O4

    M.W.:
    649.50

    Type:
    Small molecule

    AlogP:
    6.61

    Polar Surface Area:
    117.50

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  19. ALA234330

    Name:
    N-(5-chloro-3-(4-(2-chloro-5-(trifluoromethyl)phenyl)-5-cyano-6-oxo-1,6-dihShow More

    Mol. Formula:
    C30H27Cl2F3N4O5

    M.W.:
    651.47

    Type:
    Small molecule

    AlogP:
    5.46

    Polar Surface Area:
    126.73

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  20. ALA392286

    Name:
    N-(5-chloro-3-(4-(2-chloro-5-(trifluoromethyl)phenyl)-5-cyano-6-oxo-1,6-dihShow More

    Mol. Formula:
    C27H23Cl2F3N4O3

    M.W.:
    579.41

    Type:
    Small molecule

    AlogP:
    5.57

    Polar Surface Area:
    109.22

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
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