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  1. ALA4555432

    Name:
    (S)-4-(2-(2-(1-((9H-Purin-6-yl)amino)propyl)-4-oxo-3-phenyl-3,4-dihydroquinShow More

    Mol. Formula:
    C31H28N8O3

    M.W.:
    560.62

    Type:
    Unknown

    AlogP:
    4.52

    Polar Surface Area:
    150.71

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  2. ALA4525406

    Name:
    N-((1-methyl-4-(4-phenylthiazol-2-yl)piperidin-4-yl)methyl)-3-(5-(trifluoroShow More

    Mol. Formula:
    C26H24F3N5O2S

    M.W.:
    527.57

    Type:
    Unknown

    AlogP:
    5.27

    Polar Surface Area:
    84.15

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  3. ALA4104197

    Name:
    N1-(2-chlorophenyl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N8-hydroxyoctanediShow More

    Mol. Formula:
    C14H7ClF12N2O3

    M.W.:
    514.65

    Type:
    Small molecule

    AlogP:
    4.60

    Polar Surface Area:
    78.43

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  4. ALA4098910

    Name:
    2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N1-hydroxy-N8-m-tolyloctanediamide

    Mol. Formula:
    C15H10F12N2O3

    M.W.:
    494.23

    Type:
    Small molecule

    AlogP:
    4.25

    Polar Surface Area:
    78.43

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  5. ALA4095542

    Name:
    2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N1-hydroxy-N8-(4-methoxyphenyl)octanedShow More

    Mol. Formula:
    C15H10F12N2O4

    M.W.:
    510.23

    Type:
    Small molecule

    AlogP:
    3.95

    Polar Surface Area:
    87.66

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  6. ALA4093113

    Name:
    N1-(3-chlorophenyl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N8-hydroxyoctanediShow More

    Mol. Formula:
    C14H7ClF12N2O3

    M.W.:
    514.65

    Type:
    Small molecule

    AlogP:
    4.60

    Polar Surface Area:
    78.43

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  7. ALA4080874

    Name:
    2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N1-hydroxy-N8-o-tolyloctanediamide

    Mol. Formula:
    C15H10F12N2O3

    M.W.:
    494.23

    Type:
    Small molecule

    AlogP:
    4.25

    Polar Surface Area:
    78.43

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  8. ALA4079958

    Name:
    2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N1-(4-fluorophenyl)-N8-hydroxyoctanediShow More

    Mol. Formula:
    C14H7F13N2O3

    M.W.:
    498.20

    Type:
    Small molecule

    AlogP:
    4.08

    Polar Surface Area:
    78.43

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  9. ALA4066515

    Name:
    N1-(4-(dimethylamino)phenyl)-2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N8-hydroxShow More

    Mol. Formula:
    C16H13F12N3O3

    M.W.:
    523.27

    Type:
    Small molecule

    AlogP:
    4.01

    Polar Surface Area:
    81.67

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  10. ALA4066343

    Name:
    2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoro-N1-hydroxy-N8-(3-(1-phenyl-1H-1,2,3-trShow More

    Mol. Formula:
    C22H13F12N5O3

    M.W.:
    623.35

    Type:
    Small molecule

    AlogP:
    5.19

    Polar Surface Area:
    109.14

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  11. ALA3622375

    Name:
    N-(2-aminophenyl)-5-(1-(3-nitrophenethyl)-1H-1,2,3-triazol-4-yl)thiophene-2Show More

    Mol. Formula:
    C21H18N6O3S

    M.W.:
    434.48

    Type:
    Small molecule

    AlogP:
    3.99

    Polar Surface Area:
    128.97

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  12. HDAC3-IN-T247

    Name:
    N-(2-aminophenyl)-4-(1-(2-(thiophen-3-yl)ethyl)-1H-1,2,3-triazol-4-yl)benzaShow More

    Mol. Formula:
    C21H19N5OS

    M.W.:
    389.48

    Type:
    Small molecule

    AlogP:
    4.08

    Polar Surface Area:
    85.83

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  13. ALA3335299

    Name:
    N-hydroxy-5-(1-(4-(phenylamino)benzyl)-1H-pyrazol-3-yl)pentanamide

    Mol. Formula:
    C21H24N4O2

    M.W.:
    364.45

    Type:
    Small molecule

    AlogP:
    3.89

    Polar Surface Area:
    79.18

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  14. ALA3335298

    Name:
    5-(1-(4-(1H-indol-1-yl)benzyl)-1H-pyrazol-3-yl)-N-hydroxypentanamide

    Mol. Formula:
    C23H24N4O2

    M.W.:
    388.47

    Type:
    Small molecule

    AlogP:
    4.09

    Polar Surface Area:
    72.08

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  15. ALA3335288

    Name:
    N-hydroxy-5-(1-phenyl-1H-pyrazol-3-yl)pentanamide

    Mol. Formula:
    C14H17N3O2

    M.W.:
    259.31

    Type:
    Small molecule

    AlogP:
    2.09

    Polar Surface Area:
    67.15

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  16. ALA3335283

    Name:
    5-(1-([1,1'-biphenyl]-3-ylmethyl)-1H-pyrazol-3-yl)-N-hydroxypentanamide

    Mol. Formula:
    C21H23N3O2

    M.W.:
    349.43

    Type:
    Small molecule

    AlogP:
    3.82

    Polar Surface Area:
    67.15

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  17. ALA2408237

    Name:
    alpha-phenyl tropolone

    Mol. Formula:
    C13H10O2

    M.W.:
    198.22

    Type:
    Small molecule

    AlogP:
    2.42

    Polar Surface Area:
    37.30

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.76

    DETAILS
  18. ALA572805

    Name:
    2,2-bis(4-chlorophenyl)-N-hydroxyacetamide

    Mol. Formula:
    C14H11Cl2NO2

    M.W.:
    296.15

    Type:
    Small molecule

    AlogP:
    3.63

    Polar Surface Area:
    49.33

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  19. ALA583967

    Name:
    2,2-bis(2,3-dihydrobenzofuran-5-yl)-N-hydroxyacetamide

    Mol. Formula:
    C18H17NO4

    M.W.:
    311.34

    Type:
    Small molecule

    AlogP:
    2.19

    Polar Surface Area:
    67.79

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  20. ALA574378

    Name:
    N-hydroxy-2,2-bis(4-(methylsulfonamido)phenyl)acetamide

    Mol. Formula:
    C16H19N3O6S2

    M.W.:
    413.48

    Type:
    Small molecule

    AlogP:
    1.07

    Polar Surface Area:
    141.67

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
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