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  1. ALA4777898

    Name:
    2-((4-Methoxybenzyl)carbamoyl)-7-nitro-5-(trifluoromethyl)benzo[d]thiazole Show More

    Mol. Formula:
    C17H12F3N3O5S

    M.W.:
    427.36

    Type:
    Unknown

    AlogP:
    3.40

    Polar Surface Area:
    108.41

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  2. ALA4749710

    Name:
    7-Nitro-2-((4-(4-(4-(trifluoromethoxy)phenyl)piperidin-1-yl)benzyl)carbamoyShow More

    Mol. Formula:
    C28H22F6N4O5S

    M.W.:
    640.56

    Type:
    Unknown

    AlogP:
    6.67

    Polar Surface Area:
    111.65

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  3. ALA4748196

    Name:
    2-(((2,3-Dihydrobenzofuran-5-yl)methyl)carbamoyl)-7-nitro-5-(trifluoromethyShow More

    Mol. Formula:
    C18H12F3N3O5S

    M.W.:
    439.37

    Type:
    Unknown

    AlogP:
    3.33

    Polar Surface Area:
    108.41

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  4. ALA4102186

    Name:
    2,4-Dichloro-N-(5-nitrothiazol-2-yl)benzamide

    Mol. Formula:
    C10H5Cl2N3O3S

    M.W.:
    318.14

    Type:
    Small molecule

    AlogP:
    3.61

    Polar Surface Area:
    85.13

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  5. ALA4097372

    Name:
    N-(5-Nitrothiazol-2-yl)-2-(trifluoromethoxy)benzamide

    Mol. Formula:
    C11H6F3N3O4S

    M.W.:
    333.25

    Type:
    Small molecule

    AlogP:
    3.20

    Polar Surface Area:
    94.36

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  6. ALA3394191

    Name:
    2-((S)-2-Methyl-1,4-dioxa-8-aza-spiro[4.5]dec-8-yl)-8-nitro-1-oxo-6-trifluoShow More

    Mol. Formula:
    C17H16F3N3O6S

    M.W.:
    447.39

    Type:
    Small molecule

    AlogP:
    2.98

    Polar Surface Area:
    117.86

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  7. ALA1632045

    Name:
    6-azido-6-deoxytrehalose

    Mol. Formula:
    C12H21N3O10

    M.W.:
    367.31

    Type:
    Small molecule

    AlogP:
    -4.08

    Polar Surface Area:
    218.06

    HBA:
    11

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
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