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  1. ALA5282102

    Name:
    6'-amino-5-chloro-2'-(4,4-dimethyl-2,6-dioxocyclohexylidene)-2-oxospiro[indShow More

    Mol. Formula:
    C20H16ClN3O3S2

    M.W.:
    445.95

    Type:
    ---

    AlogP:
    3.83

    Polar Surface Area:
    113.05

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  2. ALA5286579

    Name:
    6'-amino-1-(2,4-dichlorobenzyl)-2'-(4,4-dimethyl-2,6-dioxocyclohexylidene)-Show More

    Mol. Formula:
    C27H21Cl2N3O3S2

    M.W.:
    570.52

    Type:
    ---

    AlogP:
    6.08

    Polar Surface Area:
    104.26

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  3. ALA4554627

    Name:
    6,6'-(Ethane-1,2-diylbis(azanediyl))bis(methylene)dipicolinic acid

    Mol. Formula:
    C16H18N4O4

    M.W.:
    330.34

    Type:
    Unknown

    AlogP:
    0.75

    Polar Surface Area:
    124.44

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  4. ALA4458494

    Name:
    6,6'-(Ethane-1,2-diylbis((4-methoxybenzyl)azanediyl))bis(methylene)dipicoliShow More

    Mol. Formula:
    C32H34N4O6

    M.W.:
    570.65

    Type:
    Unknown

    AlogP:
    4.59

    Polar Surface Area:
    125.32

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  5. ALA4445766

    Name:
    N'-(4-ethoxybenzylidene)-2-(3-(3-(2-(2-(4-ethoxyphenyl)ethylidene)hydrazinyShow More

    Mol. Formula:
    C33H34N8O4S

    M.W.:
    638.75

    Type:
    Unknown

    AlogP:
    4.41

    Polar Surface Area:
    144.98

    HBA:
    12

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  6. ALA4441936

    Name:
    2-(3-(2-oxo-3-(2-(2-(pyridin-2-yl)ethylidene)hydrazinyl)propylthio)-5H-[1,2Show More

    Mol. Formula:
    C27H24N10O2S

    M.W.:
    552.62

    Type:
    Unknown

    AlogP:
    2.40

    Polar Surface Area:
    152.30

    HBA:
    12

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  7. ALA4229120

    Name:
    Propyl diethylcarbamo(dithioperoxo)thioate

    Mol. Formula:
    C8H17NS3

    M.W.:
    223.43

    Type:
    Small molecule

    AlogP:
    3.40

    Polar Surface Area:
    3.24

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  8. ALA2296994

    Name:
    1-(1,3-Diphenylallylidene)-2-isonicotinohydrazone

    Mol. Formula:
    C21H17N3O

    M.W.:
    327.39

    Type:
    Small molecule

    AlogP:
    3.93

    Polar Surface Area:
    54.35

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  9. ALA2296992

    Name:
    1-(1,3-diphenylallylidene)-(4-(1H-benzimidazol-2-yl)phenyl)hydrazone

    Mol. Formula:
    C28H22N4

    M.W.:
    414.51

    Type:
    Small molecule

    AlogP:
    6.76

    Polar Surface Area:
    53.07

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  10. ALA2296991

    Name:
    1-(4-phenylbut-3-en-2-ylidene)-(4-(1H-benzimidazol-2-yl)phenyl)hydrazone

    Mol. Formula:
    C23H20N4

    M.W.:
    352.44

    Type:
    Small molecule

    AlogP:
    5.73

    Polar Surface Area:
    53.07

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  11. ALA2296990

    Name:
    1-(1,3-diphenylallylidene)-(4-phenylthiazol-2-yl)hydrazone

    Mol. Formula:
    C24H19N3S

    M.W.:
    381.50

    Type:
    Small molecule

    AlogP:
    6.34

    Polar Surface Area:
    37.28

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  12. ALA2296989

    Name:
    1-(4-phenylbut-3-en-2-ylidene)-(4-phenylthiazol-2-yl)hydrazone

    Mol. Formula:
    C19H17N3S

    M.W.:
    319.43

    Type:
    Small molecule

    AlogP:
    5.31

    Polar Surface Area:
    37.28

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  13. ALA2296988

    Name:
    (4-benzylidene-2-methyloxazol-5(4H)-ylidene)-2-(2,4-dinitrophenyl)phenylhydShow More

    Mol. Formula:
    C17H13N5O5

    M.W.:
    367.32

    Type:
    Small molecule

    AlogP:
    3.72

    Polar Surface Area:
    132.26

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  14. ALA2296987

    Name:
    (4-benzylidene-2-methyloxazol-5(4H)-ylidene)-2-phenylhydrazone

    Mol. Formula:
    C17H15N3O

    M.W.:
    277.33

    Type:
    Small molecule

    AlogP:
    3.90

    Polar Surface Area:
    45.98

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  15. ALA2263515

    Name:
    2-methyl-3-oxodecanal

    Mol. Formula:
    C11H20O2

    M.W.:
    184.28

    Type:
    Small molecule

    AlogP:
    2.75

    Polar Surface Area:
    34.14

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  16. ALA2263514

    Name:
    2-ethyl-3-oxodecanal

    Mol. Formula:
    C12H22O2

    M.W.:
    198.31

    Type:
    Small molecule

    AlogP:
    3.14

    Polar Surface Area:
    34.14

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  17. ALA2263513

    Name:
    2-butyl-3-oxodecanal

    Mol. Formula:
    C14H26O2

    M.W.:
    226.36

    Type:
    Small molecule

    AlogP:
    3.92

    Polar Surface Area:
    34.14

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  18. ALA1836124

    Name:
    (1S,2S)-1-(4-nitrophenyl)propane-1,2,3-triol

    Mol. Formula:
    C9H11NO5

    M.W.:
    213.19

    Type:
    Small molecule

    AlogP:
    -0.02

    Polar Surface Area:
    103.83

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  19. ALA1836123

    Name:
    (1S,2R)-1-(4-nitrophenyl)propane-1,2,3-triol

    Mol. Formula:
    C9H11NO5

    M.W.:
    213.19

    Type:
    Small molecule

    AlogP:
    -0.02

    Polar Surface Area:
    103.83

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  20. ALA1836122

    Name:
    (1R,2R)-1-(4-nitrophenyl)propane-1,2,3-triol

    Mol. Formula:
    C9H11NO5

    M.W.:
    213.19

    Type:
    Small molecule

    AlogP:
    -0.02

    Polar Surface Area:
    103.83

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
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