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  1. ALA2145692

    Name:
    SID124898787

    Mol. Formula:

    M.W.:

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA1903548

    Name:
    SID92763500

    Mol. Formula:
    C18H20N2O3

    M.W.:
    312.37

    Type:
    Small molecule

    AlogP:
    3.77

    Polar Surface Area:
    55.61

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  3. ALA1901061

    Name:
    SID124897114

    Mol. Formula:
    C17H12N2O2

    M.W.:
    276.30

    Type:
    Small molecule

    AlogP:
    3.53

    Polar Surface Area:
    44.24

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  4. ALA1900283

    Name:
    SID85267187

    Mol. Formula:
    C16H18N2O4S2

    M.W.:
    366.46

    Type:
    Small molecule

    AlogP:
    1.38

    Polar Surface Area:
    74.76

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  5. ALA1899983

    Name:
    SID92764178

    Mol. Formula:
    C18H19ClN2O

    M.W.:
    314.82

    Type:
    Small molecule

    AlogP:
    4.22

    Polar Surface Area:
    55.12

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  6. ALA1897551

    Name:
    SID85301883

    Mol. Formula:
    C27H27NO4S

    M.W.:
    461.58

    Type:
    Small molecule

    AlogP:
    5.50

    Polar Surface Area:
    74.68

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  7. ALA1897327

    Name:
    SID56463397

    Mol. Formula:
    C25H22ClNO4S

    M.W.:
    467.97

    Type:
    Small molecule

    AlogP:
    5.54

    Polar Surface Area:
    74.68

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  8. ALA1896117

    Name:
    SID74373667

    Mol. Formula:
    C17H13Cl2N3O

    M.W.:
    346.22

    Type:
    Small molecule

    AlogP:
    4.74

    Polar Surface Area:
    46.92

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  9. (5-Nitro-1H-1,3-benzodiazol-2-yl)methanol

    Name:
    SID124896409

    Mol. Formula:
    C8H7N3O3

    M.W.:
    193.16

    Type:
    Small molecule

    AlogP:
    0.96

    Polar Surface Area:
    92.05

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  10. 3-Methyl-4-nitropyridine N-oxide

    Name:
    SID89855703

    Mol. Formula:
    C6H6N2O3

    M.W.:
    154.12

    Type:
    Small molecule

    AlogP:
    0.54

    Polar Surface Area:
    70.08

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  11. ALA1892506

    Name:
    SID124894280

    Mol. Formula:
    C7H9N5O4

    M.W.:
    227.18

    Type:
    Small molecule

    AlogP:
    0.72

    Polar Surface Area:
    106.93

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  12. ALA1892365

    Name:
    SID22403536

    Mol. Formula:
    C15H15N5O4S

    M.W.:
    361.38

    Type:
    Small molecule

    AlogP:
    3.07

    Polar Surface Area:
    112.18

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  13. ALA1891821

    Name:
    SID124896678

    Mol. Formula:
    C18H25N5O2

    M.W.:
    343.43

    Type:
    Small molecule

    AlogP:
    1.97

    Polar Surface Area:
    62.75

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  14. ALA1890631

    Name:
    SID47197969

    Mol. Formula:
    C14H13NO2S2

    M.W.:
    291.40

    Type:
    Small molecule

    AlogP:
    3.06

    Polar Surface Area:
    46.50

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  15. ALA1882400

    Name:
    SID124895916

    Mol. Formula:
    C17H11N3O4

    M.W.:
    321.29

    Type:
    Small molecule

    AlogP:
    4.22

    Polar Surface Area:
    99.17

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  16. ALA1880971

    Name:
    SID124897154

    Mol. Formula:
    C16H11NO2S

    M.W.:
    281.34

    Type:
    Small molecule

    AlogP:
    4.20

    Polar Surface Area:
    31.35

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  17. ALA1878383

    Name:
    SID14719201

    Mol. Formula:
    C19H20N2O9

    M.W.:
    420.37

    Type:
    Small molecule

    AlogP:
    1.87

    Polar Surface Area:
    136.20

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  18. ALA1878003

    Name:
    SID93577212

    Mol. Formula:
    C15H8F3N3O4

    M.W.:
    351.24

    Type:
    Small molecule

    AlogP:
    3.50

    Polar Surface Area:
    105.36

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  19. ALA1873660

    Name:
    SID85270809

    Mol. Formula:
    C14H13N3O5

    M.W.:
    303.27

    Type:
    Small molecule

    AlogP:
    2.02

    Polar Surface Area:
    103.59

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  20. ALA1871426

    Name:
    SID124897052

    Mol. Formula:
    C19H18N2O

    M.W.:
    290.37

    Type:
    Small molecule

    AlogP:
    3.71

    Polar Surface Area:
    30.18

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
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