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  1. ALA2111158

    Name:
    TAZOLOL

    Mol. Formula:
    C9H16N2O2S

    M.W.:
    216.31

    Type:
    Small molecule

    AlogP:
    0.88

    Polar Surface Area:
    54.38

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  2. Vernakalant

    Name:
    VERNAKALANT

    Mol. Formula:
    C20H31NO4

    M.W.:
    349.47

    Type:
    Small molecule

    AlogP:
    2.64

    Polar Surface Area:
    51.16

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  3. ALA2110791

    Name:
    CLAMOXYQUIN

    Mol. Formula:
    C17H24ClN3O

    M.W.:
    321.85

    Type:
    Small molecule

    AlogP:
    3.42

    Polar Surface Area:
    48.39

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  4. Anamorelin

    Name:
    ANAMORELIN

    Mol. Formula:
    C31H42N6O3

    M.W.:
    546.72

    Type:
    Small molecule

    AlogP:
    2.72

    Polar Surface Area:
    114.77

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  5. ALA2079220

    Name:

    Mol. Formula:
    C17H20N4O2S

    M.W.:
    344.44

    Type:
    Small molecule

    AlogP:
    2.39

    Polar Surface Area:
    96.25

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  6. ALA2078875

    Name:

    Mol. Formula:
    C17H18Cl2N4O2S

    M.W.:
    413.33

    Type:
    Small molecule

    AlogP:
    3.69

    Polar Surface Area:
    96.25

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  7. ALA2078873

    Name:

    Mol. Formula:
    C17H18F2N4O2S

    M.W.:
    380.42

    Type:
    Small molecule

    AlogP:
    2.67

    Polar Surface Area:
    96.25

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  8. ALA2078812

    Name:

    Mol. Formula:
    C17H18F2N4O2S

    M.W.:
    380.42

    Type:
    Small molecule

    AlogP:
    2.67

    Polar Surface Area:
    96.25

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  9. ALA2078762

    Name:

    Mol. Formula:
    C18H19N5O2S

    M.W.:
    369.45

    Type:
    Small molecule

    AlogP:
    2.26

    Polar Surface Area:
    120.04

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  10. ALA2078754

    Name:

    Mol. Formula:
    C21H21FN6O

    M.W.:
    392.44

    Type:
    Small molecule

    AlogP:
    3.74

    Polar Surface Area:
    86.00

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  11. ALA2068881

    Name:

    Mol. Formula:
    C22H22N4O2

    M.W.:
    374.44

    Type:
    Small molecule

    AlogP:
    3.70

    Polar Surface Area:
    81.34

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  12. ALA2068839

    Name:
    RISLENEMDAZ

    Mol. Formula:
    C19H23FN4O2

    M.W.:
    358.42

    Type:
    Small molecule

    AlogP:
    3.19

    Polar Surface Area:
    67.35

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
  13. ALA2068817

    Name:

    Mol. Formula:
    C21H20N2O3

    M.W.:
    348.40

    Type:
    Small molecule

    AlogP:
    4.44

    Polar Surface Area:
    51.66

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  14. ALA2068760

    Name:

    Mol. Formula:
    C10H14N2

    M.W.:
    162.24

    Type:
    Small molecule

    AlogP:
    1.85

    Polar Surface Area:
    16.13

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.63

    DETAILS
  15. SSR240612

    Name:

    Mol. Formula:
    C42H52N4O7S

    M.W.:
    756.97

    Type:
    Small molecule

    AlogP:
    6.34

    Polar Surface Area:
    126.51

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  16. ALA2021706

    Name:

    Mol. Formula:
    C22H34ClN6O2+

    M.W.:
    450.01

    Type:
    Small molecule

    AlogP:
    2.91

    Polar Surface Area:
    116.15

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  17. ALA2021696

    Name:

    Mol. Formula:
    C21H22N10O11S2

    M.W.:
    654.60

    Type:
    Small molecule

    AlogP:
    -2.90

    Polar Surface Area:
    303.36

    HBA:
    17

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  18. ALA1963502

    Name:
    PKI-166

    Mol. Formula:
    C20H18N4O

    M.W.:
    330.39

    Type:
    Small molecule

    AlogP:
    4.50

    Polar Surface Area:
    73.83

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  19. ALA1963462

    Name:

    Mol. Formula:
    C21H32NO2+

    M.W.:
    330.49

    Type:
    Small molecule

    AlogP:
    3.92

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  20. ALA1963231

    Name:

    Mol. Formula:
    C20H30NO2+

    M.W.:
    316.47

    Type:
    Small molecule

    AlogP:
    3.53

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
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