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  1. ALA5093114

    Name:
    4-(3-(3-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-4-y
    Show More

    Mol. Formula:
    C17H16ClN3O

    M.W.:
    313.79

    Type:
    Unknown

    AlogP:
    3.72

    Polar Surface Area:
    41.15

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  2. ALA2007296

    Name:
    SID103904566

    Mol. Formula:
    C23H24N2O2

    M.W.:
    360.46

    Type:
    Small molecule

    AlogP:
    5.03

    Polar Surface Area:
    51.22

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  3. ALA2006785

    Name:
    SID103904745

    Mol. Formula:
    C17H10Cl2N2OS

    M.W.:
    361.25

    Type:
    Small molecule

    AlogP:
    5.64

    Polar Surface Area:
    52.89

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  4. ALA2006276

    Name:
    SID103904673

    Mol. Formula:
    C19H16N4O2

    M.W.:
    332.36

    Type:
    Small molecule

    AlogP:
    4.14

    Polar Surface Area:
    75.28

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  5. ALA2006237

    Name:
    SID103904687

    Mol. Formula:
    C21H27N7O

    M.W.:
    393.50

    Type:
    Small molecule

    AlogP:
    1.77

    Polar Surface Area:
    103.17

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  6. ALA2005631

    Name:
    SID103904310

    Mol. Formula:
    C23H20FN5O2S

    M.W.:
    449.51

    Type:
    Small molecule

    AlogP:
    5.00

    Polar Surface Area:
    109.14

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  7. ALA2005509

    Name:
    SID103904227

    Mol. Formula:
    C19H22ClN7O

    M.W.:
    399.89

    Type:
    Small molecule

    AlogP:
    3.33

    Polar Surface Area:
    107.62

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  8. ALA2005375

    Name:
    SID103904641

    Mol. Formula:
    C28H38N6O3

    M.W.:
    506.65

    Type:
    Small molecule

    AlogP:
    4.80

    Polar Surface Area:
    99.69

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  9. ALA2004615

    Name:
    SID103905559

    Mol. Formula:
    C10H11N5OS

    M.W.:
    249.30

    Type:
    Small molecule

    AlogP:
    0.67

    Polar Surface Area:
    99.82

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  10. ALA2004419

    Name:
    SID103905063

    Mol. Formula:
    C22H19F2N5S

    M.W.:
    423.49

    Type:
    Small molecule

    AlogP:
    5.60

    Polar Surface Area:
    61.14

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  11. ALA2004355

    Name:
    SID103905187

    Mol. Formula:
    C16H17N5O4S

    M.W.:
    375.41

    Type:
    Small molecule

    AlogP:
    0.51

    Polar Surface Area:
    161.19

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  12. ALA2003817

    Name:
    SID103904890

    Mol. Formula:
    C15H10F3N5O

    M.W.:
    333.27

    Type:
    Small molecule

    AlogP:
    3.69

    Polar Surface Area:
    79.80

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  13. ALA2003638

    Name:
    SID103904514

    Mol. Formula:
    C23H17FN6O

    M.W.:
    412.43

    Type:
    Small molecule

    AlogP:
    4.26

    Polar Surface Area:
    88.49

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  14. ALA2002726

    Name:
    SID103904468

    Mol. Formula:
    C22H22N4O

    M.W.:
    358.45

    Type:
    Small molecule

    AlogP:
    3.88

    Polar Surface Area:
    76.82

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  15. ALA2002407

    Name:
    SID103905206

    Mol. Formula:
    C14H11N5O2

    M.W.:
    281.28

    Type:
    Small molecule

    AlogP:
    1.64

    Polar Surface Area:
    131.74

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  16. ALA2000801

    Name:
    SID103904379

    Mol. Formula:
    C21H13F4N3OS

    M.W.:
    431.41

    Type:
    Small molecule

    AlogP:
    6.77

    Polar Surface Area:
    54.02

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  17. ALA2000345

    Name:
    SID103905618

    Mol. Formula:
    C18H14BrN3O2

    M.W.:
    384.23

    Type:
    Small molecule

    AlogP:
    4.41

    Polar Surface Area:
    81.93

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  18. ALA1999931

    Name:
    SID103904511

    Mol. Formula:
    C23H18N6O

    M.W.:
    394.44

    Type:
    Small molecule

    AlogP:
    4.12

    Polar Surface Area:
    88.49

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  19. ALA1999749

    Name:
    SID103905566

    Mol. Formula:
    C34H32N4O3

    M.W.:
    544.66

    Type:
    Small molecule

    AlogP:
    6.51

    Polar Surface Area:
    79.74

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  20. ALA1999556

    Name:
    SID103905041

    Mol. Formula:
    C14H10N2OS

    M.W.:
    254.31

    Type:
    Small molecule

    AlogP:
    3.06

    Polar Surface Area:
    55.98

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
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