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  1. ALA2289061

    Name:
    Disodium monomethanearsonate

    Mol. Formula:
    CH3AsNa2O3

    M.W.:
    183.93

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA2287948

    Name:
    N-Methyl-N-phenyl-2-(5-trifluoromethyl-1,3,4-thiadiazol-2-yloxy)acetamide

    Mol. Formula:
    C12H10F3N3O2S

    M.W.:
    317.29

    Type:
    Small molecule

    AlogP:
    2.60

    Polar Surface Area:
    55.32

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  3. ALA2272565

    Name:
    Ioxynil octanoate

    Mol. Formula:
    C15H17I2NO2

    M.W.:
    497.11

    Type:
    Small molecule

    AlogP:
    5.03

    Polar Surface Area:
    50.09

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  4. ALA2272563

    Name:
    4-(3-bromo-4-fluorophenyl)-6-fluoro-1H-benzo[d][1,2]oxazine

    Mol. Formula:
    C14H8BrF2NO

    M.W.:
    324.12

    Type:
    Small molecule

    AlogP:
    4.01

    Polar Surface Area:
    21.59

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  5. ALA2272552

    Name:
    4-(3-chloro-4-fluorophenyl)-1H-benzo[d][1,2]oxazine

    Mol. Formula:
    C14H9ClFNO

    M.W.:
    261.68

    Type:
    Small molecule

    AlogP:
    3.76

    Polar Surface Area:
    21.59

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  6. ALA2269798

    Name:
    2,2,2-trifluoro-N-(5-methyl-3-(3-(trifluoromethyl)phenyl)thiazol-2(3H)-ylidShow More

    Mol. Formula:
    C13H8F6N2OS

    M.W.:
    354.28

    Type:
    Small molecule

    AlogP:
    3.86

    Polar Surface Area:
    34.36

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  7. ALA2269797

    Name:
    2-(N-Difluoroacetylimino)-5-methyl-3-(3-trifluoromethylphenyl)-1,3-thiazoliShow More

    Mol. Formula:
    C13H9F5N2OS

    M.W.:
    336.29

    Type:
    Small molecule

    AlogP:
    3.56

    Polar Surface Area:
    34.36

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  8. ALA2251593

    Name:
    Pyrithiobac

    Mol. Formula:
    C13H11ClN2O4S

    M.W.:
    326.76

    Type:
    Small molecule

    AlogP:
    3.00

    Polar Surface Area:
    81.54

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  9. ALA482050

    Name:
    4,5,6,7-tetrahydro-11,13-dihydroxy-4-methyl-2H-3-benzoxacyclododecin-2,10(1Show More

    Mol. Formula:
    C16H18O5

    M.W.:
    290.32

    Type:
    Small molecule

    AlogP:
    2.49

    Polar Surface Area:
    83.83

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
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