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  1. ABT-751 hydrochloride

    Name:
    N-(2-(4-hydroxyphenylamino)pyridin-3-yl)-4-methoxybenzenesulfonamide hydrocShow More

    Mol. Formula:
    C18H18ClN3O4S

    M.W.:
    407.88

    Type:
    Small molecule

    AlogP:
    3.34

    Polar Surface Area:
    100.55

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  2. ALA1830237

    Name:
    (2-(p-Fluorophenylamino)thiazol-4-yl)(3,4,5-trimethoxyphenyl)-methanone

    Mol. Formula:
    C19H17FN2O4S

    M.W.:
    388.42

    Type:
    Small molecule

    AlogP:
    4.28

    Polar Surface Area:
    69.68

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  3. ALA1830236

    Name:
    (2-(p-Tolylamino)thiazol-4-yl)(3,4,5-trimethoxyphenyl)methanone HydrochloriShow More

    Mol. Formula:
    C20H21ClN2O4S

    M.W.:
    420.92

    Type:
    Small molecule

    AlogP:
    4.45

    Polar Surface Area:
    69.68

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  4. ALA1830235

    Name:
    (2-(4-((Dimethylamino)methyl)phenyl)thiazol-4-yl)(3,4,5-trimethoxyphenyl)meShow More

    Mol. Formula:
    C22H25ClN2O4S

    M.W.:
    448.97

    Type:
    Small molecule

    AlogP:
    4.13

    Polar Surface Area:
    60.89

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  5. ALA1830234

    Name:
    (2-(4-((Methylamino)methyl)phenyl)thiazol-4-yl)(3,4,5-trimethoxyphenyl)methShow More

    Mol. Formula:
    C21H23ClN2O4S

    M.W.:
    434.95

    Type:
    Small molecule

    AlogP:
    3.79

    Polar Surface Area:
    69.68

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  6. ALA1830233

    Name:
    (2-(4-(Aminomethyl)phenyl)thiazol-4-yl)(3,4,5-trimethoxyphenyl)-methanone HShow More

    Mol. Formula:
    C20H21ClN2O4S

    M.W.:
    420.92

    Type:
    Small molecule

    AlogP:
    3.53

    Polar Surface Area:
    83.67

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  7. ALA1830232

    Name:
    tert-Butyl 4-(4-(3,4,5-Trimethoxybenzoyl)thiazol-2-yl)benzylcarbamate

    Mol. Formula:
    C25H28N2O6S

    M.W.:
    484.57

    Type:
    Small molecule

    AlogP:
    5.09

    Polar Surface Area:
    95.98

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  8. ALA1830231

    Name:
    (2-(1H-Indol-5-yl)thiazol-4-yl)(3,4,5-trimethoxyphenyl)methanone

    Mol. Formula:
    C21H18N2O4S

    M.W.:
    394.45

    Type:
    Small molecule

    AlogP:
    4.55

    Polar Surface Area:
    73.44

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  9. ALA1830230

    Name:
    (2-(1H-Indol-2-yl)thiazol-4-yl)(3,4,5-trimethoxyphenyl)methanone

    Mol. Formula:
    C21H18N2O4S

    M.W.:
    394.45

    Type:
    Small molecule

    AlogP:
    4.55

    Polar Surface Area:
    73.44

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  10. ALA1830229

    Name:
    (R)-(2-(4-(tert-butyldimethylsilyloxy)phenyl)-4,5-dihydrothiazol-4-yl)(3,4,Show More

    Mol. Formula:
    C25H33NO5SSi

    M.W.:
    487.69

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA1830228

    Name:
    N-(3,4,5-Trimethoxyphenyl)biphenyl-3-sulfinamide

    Mol. Formula:
    C21H21NO4S

    M.W.:
    383.47

    Type:
    Small molecule

    AlogP:
    4.51

    Polar Surface Area:
    62.78

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  12. ALA1830227

    Name:
    3-(3,4,5-Trimethoxyphenylsulfinyl)biphenyl

    Mol. Formula:
    C21H20O4S

    M.W.:
    368.45

    Type:
    Small molecule

    AlogP:
    4.55

    Polar Surface Area:
    50.75

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  13. ALA1830209

    Name:
    (4-Phenylpiperidin-1-yl)(3,4,5-trimethoxyphenyl)methanone

    Mol. Formula:
    C21H25NO4

    M.W.:
    355.43

    Type:
    Small molecule

    AlogP:
    3.73

    Polar Surface Area:
    48.00

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  14. ALA1830208

    Name:
    (5-Phenylisoxazol-3-yl)(3,4,5-trimethoxyphenyl)methanone

    Mol. Formula:
    C19H17NO5

    M.W.:
    339.35

    Type:
    Small molecule

    AlogP:
    3.60

    Polar Surface Area:
    70.79

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  15. ALA1830207

    Name:
    (2-Phenylthiazol-5-yl)(3,4,5-trimethoxyphenyl)methanone

    Mol. Formula:
    C19H17NO4S

    M.W.:
    355.42

    Type:
    Small molecule

    AlogP:
    4.07

    Polar Surface Area:
    57.65

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  16. ALA1830206

    Name:
    (3-Phenyl-1H-pyrazol-5-yl)(3,4,5-trimethoxyphenyl)methanone

    Mol. Formula:
    C19H18N2O4

    M.W.:
    338.36

    Type:
    Small molecule

    AlogP:
    3.33

    Polar Surface Area:
    73.44

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  17. ALA1830205

    Name:
    (5-Phenylthiophen-3-yl)(3,4,5-trimethoxyphenyl)methanone

    Mol. Formula:
    C20H18O4S

    M.W.:
    354.43

    Type:
    Small molecule

    AlogP:
    4.67

    Polar Surface Area:
    44.76

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  18. ALA1830204

    Name:
    (5-Phenylfuran-2-yl)(3,4,5-trimethoxyphenyl)methanone

    Mol. Formula:
    C20H18O5

    M.W.:
    338.36

    Type:
    Small molecule

    AlogP:
    4.20

    Polar Surface Area:
    57.90

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  19. ALA1830203

    Name:
    (6-Phenylpyridin-2-yl)(3,4,5-trimethoxyphenyl)methanone

    Mol. Formula:
    C21H19NO4

    M.W.:
    349.39

    Type:
    Small molecule

    AlogP:
    4.01

    Polar Surface Area:
    57.65

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  20. ALA1830202

    Name:
    (6-Phenylpyrimidin-4-yl)(3,4,5-trimethoxyphenyl)methanone

    Mol. Formula:
    C20H18N2O4

    M.W.:
    350.37

    Type:
    Small molecule

    AlogP:
    3.40

    Polar Surface Area:
    70.54

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
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