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  1. ALA5286872

    Name:
    2-(5-chlorothiophen-2-yl)-N-(1-(4-((S)-1-(dimethyl
    Show More

    Mol. Formula:
    C20H23ClFN3O3S2

    M.W.:
    472.01

    Type:
    ---

    AlogP:
    3.86

    Polar Surface Area:
    69.72

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  2. ALA5291366

    Name:
    5-chloro-N-(2-(N-(1-isopropylpiperidin-4-yl)sulfam
    Show More

    Mol. Formula:
    C15H24ClN3O3S2

    M.W.:
    393.96

    Type:
    ---

    AlogP:
    1.92

    Polar Surface Area:
    78.51

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  3. ALA1160895

    Name:
    3-(7-Carbamimidoyl-naphthalen-2-yl)-2-{4-[1-(1-imi
    Show More

    Mol. Formula:
    C27H30N4O3

    M.W.:
    458.56

    Type:
    Small molecule

    AlogP:
    4.38

    Polar Surface Area:
    123.49

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  4. ALA1160812

    Name:
    Cyclic urea 2,4-diazepin-3-one analogue

    Mol. Formula:
    C27H32F6N6O7S

    M.W.:
    698.64

    Type:
    Small molecule

    AlogP:
    2.43

    Polar Surface Area:
    136.82

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  5. ALA1160810

    Name:
    Cyclic urea 2,4-diazepin-3-one analogue

    Mol. Formula:
    C27H32F6N6O5

    M.W.:
    634.58

    Type:
    Small molecule

    AlogP:
    3.05

    Polar Surface Area:
    89.55

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  6. ALA1160794

    Name:
    Cyclic urea 2,4-diazepin-3-one analogue

    Mol. Formula:
    C27H32F6N6O5

    M.W.:
    634.58

    Type:
    Small molecule

    AlogP:
    3.05

    Polar Surface Area:
    89.55

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  7. ALA1160793

    Name:
    Cyclic urea 2,4-diazepin-3-one analogue

    Mol. Formula:
    C27H32F6N6O5

    M.W.:
    634.58

    Type:
    Small molecule

    AlogP:
    3.05

    Polar Surface Area:
    89.55

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  8. ALA1160792

    Name:
    Cyclic urea 2,4-diazepin-3-one analogue

    Mol. Formula:
    C27H32F6N6O7S

    M.W.:
    698.64

    Type:
    Small molecule

    AlogP:
    2.38

    Polar Surface Area:
    123.69

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  9. ALA1160791

    Name:
    Cyclic urea 2,4-diazepin-3-one analogue

    Mol. Formula:
    C27H32F6N6O7S

    M.W.:
    698.64

    Type:
    Small molecule

    AlogP:
    2.43

    Polar Surface Area:
    136.82

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  10. ALA1160518

    Name:
    Cyclic urea 2,4-diazepin-3-one analogue

    Mol. Formula:
    C27H32F6N6O7S

    M.W.:
    698.64

    Type:
    Small molecule

    AlogP:
    2.43

    Polar Surface Area:
    136.82

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  11. ALA4548476

    Name:
    Ethyl (4R,4aS,6aR,9S,11aR,11bS,E)-8-(((2-chlorothi
    Show More

    Mol. Formula:
    C26H37ClN2O3S

    M.W.:
    493.11

    Type:
    Unknown

    AlogP:
    7.04

    Polar Surface Area:
    60.78

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  12. ALA4550333

    Name:
    Ethyl (4R,4aS,6aR,9S,11aR,11bS,E)-8-(((2,5-dichlor
    Show More

    Mol. Formula:
    C29H39Cl2NO3

    M.W.:
    520.54

    Type:
    Unknown

    AlogP:
    8.23

    Polar Surface Area:
    47.89

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  13. ALA4549971

    Name:
    Ethyl (4R,4aS,6aR,9S,11aR,11bS,E)-8-(((1,3-dimethy
    Show More

    Mol. Formula:
    C28H43N3O3

    M.W.:
    469.67

    Type:
    Unknown

    AlogP:
    5.97

    Polar Surface Area:
    65.71

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  14. ALA4525061

    Name:
    Ethyl (4R,4aS,6aR,9S,11aR,11bS,E)-8-(((1,3-dioxola
    Show More

    Mol. Formula:
    C26H41NO5

    M.W.:
    447.62

    Type:
    Unknown

    AlogP:
    5.10

    Polar Surface Area:
    66.35

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  15. ALA5276447

    Name:
    (R)-2-(3-((3S,5S,7S)-adamantan-1-yl)ureido)-3-(4-c
    Show More

    Mol. Formula:
    C29H37N5O2

    M.W.:
    487.65

    Type:
    ---

    AlogP:
    3.51

    Polar Surface Area:
    120.10

    HBA:
    3

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  16. ALA5276446

    Name:
    2-(5-chlorothiophen-2-yl)-N-(1-(4-((R)-1-(dimethyl
    Show More

    Mol. Formula:
    C20H23ClFN3O3S2

    M.W.:
    472.01

    Type:
    ---

    AlogP:
    3.86

    Polar Surface Area:
    69.72

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  17. ALA5269594

    Name:
    2-(5-chlorothiophen-2-yl)-N-(1-(4-(1-(dimethylamin
    Show More

    Mol. Formula:
    C20H23ClFN3O3S2

    M.W.:
    472.01

    Type:
    ---

    AlogP:
    3.86

    Polar Surface Area:
    69.72

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  18. ALA5266057

    Name:
    1-(3-((3aS,4R,8aS,8bR)-4-(5-(5-chlorothiophen-2-yl
    Show More

    Mol. Formula:
    C25H32ClN4O4S+

    M.W.:
    520.08

    Type:
    ---

    AlogP:
    3.17

    Polar Surface Area:
    86.88

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  19. ALA5208176

    Name:
    1-((4-Chlorophenylcarbamoyl)methyl)-N-(1-isopropyl
    Show More

    Mol. Formula:
    C21H27ClN4O2

    M.W.:
    402.93

    Type:
    ---

    AlogP:
    3.38

    Polar Surface Area:
    66.37

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  20. ALA5206688

    Name:
    N-(1-isopropylpiperidin-4-yl)-1-(2-oxo-2-(phenylam
    Show More

    Mol. Formula:
    C25H30N4O2

    M.W.:
    418.54

    Type:
    ---

    AlogP:
    3.88

    Polar Surface Area:
    66.37

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
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