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  1. ALA4798885

    Name:
    4-Hydroxy-(1,1':3',1''-terphenyl]-3-carboxylic Acid

    Mol. Formula:
    C19H14O3

    M.W.:
    290.32

    Type:
    Unknown

    AlogP:
    4.42

    Polar Surface Area:
    57.53

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  2. ALA4797549

    Name:
    5-Cyclopentyl-2-hydroxybenzoic Acid

    Mol. Formula:
    C12H14O3

    M.W.:
    206.24

    Type:
    Unknown

    AlogP:
    2.75

    Polar Surface Area:
    57.53

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.78

    DETAILS
  3. ALA4796997

    Name:
    2-(3-((5-cyano-4-oxo-6-(thiophen-2-yl)-1,2,3,4-tetrahydropyrimidin-2-ylthioShow More

    Mol. Formula:
    C18H15N3O3S2

    M.W.:
    385.47

    Type:
    Unknown

    AlogP:
    2.55

    Polar Surface Area:
    102.22

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  4. ALA4790894

    Name:
    4-Hydroxy-3'-(hydroxymethyl)-[1,1'-biphenyl]-3-carboxylic Acid

    Mol. Formula:
    C14H12O4

    M.W.:
    244.25

    Type:
    Unknown

    AlogP:
    2.25

    Polar Surface Area:
    77.76

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  5. ALA4790591

    Name:
    2',4'-Difluoro-3-(hydroxymethyl)-(1,1'-biphenyl)-4-ol

    Mol. Formula:
    C13H10F2O2

    M.W.:
    236.22

    Type:
    Unknown

    AlogP:
    2.83

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.84

    DETAILS
  6. ALA4786884

    Name:
    5-(Cyclopent-1-en-1-yl)-hydroxybenzoic Acid

    Mol. Formula:
    C12H12O3

    M.W.:
    204.22

    Type:
    Unknown

    AlogP:
    2.66

    Polar Surface Area:
    57.53

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.78

    DETAILS
  7. ALA4777943

    Name:
    2'4'-Difluoro-4-hydroxy-[1,1'-biphenyl]-3-carboxamide

    Mol. Formula:
    C13H9F2NO2

    M.W.:
    249.22

    Type:
    Unknown

    AlogP:
    2.44

    Polar Surface Area:
    63.32

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  8. ALA4777331

    Name:
    4-Hydroxy-2',3',4',5'-tetrahydro-[1,1'-biphenyl]-3-carboxylic Acid

    Mol. Formula:
    C13H14O3

    M.W.:
    218.25

    Type:
    Unknown

    AlogP:
    3.05

    Polar Surface Area:
    57.53

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  9. ALA4777218

    Name:
    3'-Benzyl-4-hydroxy-[1,1'-biphenyl]-3-carboxylic Acid

    Mol. Formula:
    C20H16O3

    M.W.:
    304.35

    Type:
    Unknown

    AlogP:
    4.35

    Polar Surface Area:
    57.53

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  10. ALA4777119

    Name:
    4-Hydroxy-3'-(2-hydroxyethyl)-[1,1'-biphenyl]-3-carboxylate

    Mol. Formula:
    C15H14O4

    M.W.:
    258.27

    Type:
    Unknown

    AlogP:
    2.29

    Polar Surface Area:
    77.76

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  11. ALA4582919

    Name:
    (E)-6-(2-(3',5'-difluoro-4'-hydroxy[1,1'-biphenyl]-2-yl)vinyl)-4-oxo-2-thioShow More

    Mol. Formula:
    C19H11F2N3O2S

    M.W.:
    383.38

    Type:
    Unknown

    AlogP:
    4.13

    Polar Surface Area:
    92.67

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  12. ALA4580504

    Name:
    3-((5-cyano-4-(furan-2-yl)-6-oxo-1,6-dihydropyrimidin-2-ylthio)methyl)benzoShow More

    Mol. Formula:
    C17H11N3O4S

    M.W.:
    353.36

    Type:
    Unknown

    AlogP:
    2.89

    Polar Surface Area:
    119.98

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  13. ALA4578242

    Name:
    3-((5-cyano-6-oxo-4-(thiophen-3-yl)-1,6-dihydropyrimidin-2-ylthio)methyl)beShow More

    Mol. Formula:
    C17H11N3O3S2

    M.W.:
    369.43

    Type:
    Unknown

    AlogP:
    3.36

    Polar Surface Area:
    106.84

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  14. ALA4574277

    Name:
    (E)-2-(2-methoxy-6-(2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vShow More

    Mol. Formula:
    C15H13N3O8

    M.W.:
    363.28

    Type:
    Unknown

    AlogP:
    0.61

    Polar Surface Area:
    164.62

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  15. ALA4553502

    Name:
    6-oxo-2-(3-(5-oxo-4,5-dihydro-1,2,4-oxadiazol-3-yl)benzylthio)-4-(thiophen-Show More

    Mol. Formula:
    C18H11N5O3S2

    M.W.:
    409.45

    Type:
    Unknown

    AlogP:
    3.01

    Polar Surface Area:
    128.43

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  16. ALA4545578

    Name:
    (E)-2-(2-(2-(5-cyano-6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)Show More

    Mol. Formula:
    C16H13N3O5S

    M.W.:
    359.36

    Type:
    Unknown

    AlogP:
    1.95

    Polar Surface Area:
    128.20

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  17. ALA4531966

    Name:
    (E)-2-(2-(2-(5-cyano-6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)Show More

    Mol. Formula:
    C18H17N3O5S

    M.W.:
    387.42

    Type:
    Unknown

    AlogP:
    2.73

    Polar Surface Area:
    128.20

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  18. ALA4530672

    Name:
    3'-(5-cyano-6-oxo-2-thioxo-1,2,3,6-tetrahydropyrimidin-4-yl)[1,1'-biphenyl]Show More

    Mol. Formula:
    C18H11N3O3S

    M.W.:
    349.37

    Type:
    Unknown

    AlogP:
    3.34

    Polar Surface Area:
    109.74

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  19. ALA4530111

    Name:
    ethyl-3-((5-cyano-6-oxo-4-p-tolyl-1,6-dihydropyrimidin-2-ylthio)methyl)benzShow More

    Mol. Formula:
    C22H19N3O3S

    M.W.:
    405.48

    Type:
    Unknown

    AlogP:
    4.09

    Polar Surface Area:
    95.84

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  20. ALA4514322

    Name:
    (E)-2-(3-(2-(5-cyano-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)vinyl)phenoShow More

    Mol. Formula:
    C15H11N3O5

    M.W.:
    313.27

    Type:
    Unknown

    AlogP:
    0.57

    Polar Surface Area:
    136.04

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
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