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  1. ALA4590131

    Name:
    2-(((1-(2-fluorophenyl)-1H-1,2,3-triazol-4-yl)methoxy)methyl)benzenethiol

    Mol. Formula:
    C16H14FN3OS

    M.W.:
    315.37

    Type:
    Unknown

    AlogP:
    3.41

    Polar Surface Area:
    39.94

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  2. ALA4589173

    Name:
    2-(((1-(4-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methoxy)methyl)benShow More

    Mol. Formula:
    C17H14F3N3OS

    M.W.:
    365.38

    Type:
    Unknown

    AlogP:
    4.29

    Polar Surface Area:
    39.94

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  3. ALA4561063

    Name:
    2-(((1-(2,4-difluorophenyl)-1H-1,2,3-triazol-4-yl)methoxy)methyl)benzenethiShow More

    Mol. Formula:
    C16H13F2N3OS

    M.W.:
    333.36

    Type:
    Unknown

    AlogP:
    3.55

    Polar Surface Area:
    39.94

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  4. ALA4472000

    Name:
    2-(((1-(2-(trifluoromethyl)phenyl)-1H-1,2,3-triazol-4-yl)methoxy)methyl)benShow More

    Mol. Formula:
    C17H14F3N3OS

    M.W.:
    365.38

    Type:
    Unknown

    AlogP:
    4.29

    Polar Surface Area:
    39.94

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  5. ALA4471191

    Name:
    2-(((1-(2,4,6-trichlorophenyl)-1H-1,2,3-triazol-4-yl)methoxy)methyl)benzeneShow More

    Mol. Formula:
    C16H12Cl3N3OS

    M.W.:
    400.72

    Type:
    Unknown

    AlogP:
    5.23

    Polar Surface Area:
    39.94

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  6. ALA7075

    Name:
    1-(4-Nitro-phenyl)-3-(2,2,4,4-tetramethyl-thiochroman-6-yl)-thiourea

    Mol. Formula:
    C20H23N3O2S2

    M.W.:
    401.56

    Type:
    Small molecule

    AlogP:
    5.96

    Polar Surface Area:
    67.20

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  7. ALA7074

    Name:
    1-(2-Methyl-4-nitro-phenyl)-3-(2,2,4,4-tetramethyl-thiochroman-6-yl)-thiourShow More

    Mol. Formula:
    C21H25N3O2S2

    M.W.:
    415.58

    Type:
    Small molecule

    AlogP:
    6.48

    Polar Surface Area:
    67.53

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  8. ALA6825

    Name:
    4-[3-(2,2,4,4,7-Pentamethyl-thiochroman-6-yl)-thioureido]-benzoic acid ethyShow More

    Mol. Formula:
    C24H30N2O2S2

    M.W.:
    442.65

    Type:
    Small molecule

    AlogP:
    6.75

    Polar Surface Area:
    50.69

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  9. ALA6524

    Name:
    4-[3-(2,2,4,4-Tetramethyl-thiochroman-6-yl)-thioureido]-benzenesulfonamide

    Mol. Formula:
    C20H25N3O2S3

    M.W.:
    435.64

    Type:
    Small molecule

    AlogP:
    4.92

    Polar Surface Area:
    84.55

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  10. ALA6499

    Name:
    4-[3-(2,2,4,4,7-Pentamethyl-thiochroman-6-yl)-thioureido]-benzenesulfonamidShow More

    Mol. Formula:
    C21H27N3O2S3

    M.W.:
    449.67

    Type:
    Small molecule

    AlogP:
    5.22

    Polar Surface Area:
    84.55

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  11. ALA6500

    Name:
    4-[3-(2,2,4,4,7-Pentamethyl-thiochroman-6-yl)-ureido]-benzoic acid ethyl esShow More

    Mol. Formula:
    C24H30N2O3S

    M.W.:
    426.58

    Type:
    Small molecule

    AlogP:
    6.37

    Polar Surface Area:
    67.43

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
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