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  1. ALA4791330

    Name:
    N-(3-cyano-5-(5-(3-(4-methylpiperazine-1-carbonyl)
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    Mol. Formula:
    C27H26N6O3S

    M.W.:
    514.61

    Type:
    Unknown

    AlogP:
    3.53

    Polar Surface Area:
    122.19

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  2. ALA3684073

    Name:
    US9102637, 262

    Mol. Formula:
    C25H19FN6O2S

    M.W.:
    486.53

    Type:
    Small molecule

    AlogP:
    4.78

    Polar Surface Area:
    114.93

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  3. ALA3684072

    Name:
    US9102637, 260

    Mol. Formula:
    C25H21N7O3S

    M.W.:
    499.56

    Type:
    Small molecule

    AlogP:
    3.52

    Polar Surface Area:
    148.05

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  4. ALA3684071

    Name:
    US9102637, 259

    Mol. Formula:
    C24H19N7O2S

    M.W.:
    469.53

    Type:
    Small molecule

    AlogP:
    4.03

    Polar Surface Area:
    127.82

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  5. ALA3684070

    Name:
    US9102637, 258

    Mol. Formula:
    C23H18N6O2S2

    M.W.:
    474.57

    Type:
    Small molecule

    AlogP:
    4.70

    Polar Surface Area:
    114.93

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  6. ALA3684069

    Name:
    US9102637, 257

    Mol. Formula:
    C25H20N6O3S

    M.W.:
    484.54

    Type:
    Small molecule

    AlogP:
    4.67

    Polar Surface Area:
    136.03

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  7. ALA3684068

    Name:
    US9102637, 256

    Mol. Formula:
    C25H20N6O3S

    M.W.:
    484.54

    Type:
    Small molecule

    AlogP:
    4.67

    Polar Surface Area:
    136.03

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  8. ALA3684067

    Name:
    US9102637, 255

    Mol. Formula:
    C24H19N7O2S

    M.W.:
    469.53

    Type:
    Small molecule

    AlogP:
    4.03

    Polar Surface Area:
    127.82

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  9. ALA3684066

    Name:
    US9102637, 254

    Mol. Formula:
    C24H19N7O2S

    M.W.:
    469.53

    Type:
    Small molecule

    AlogP:
    4.03

    Polar Surface Area:
    127.82

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  10. ALA3684065

    Name:
    US9102637, 252

    Mol. Formula:
    C25H19N5O4S2

    M.W.:
    517.59

    Type:
    Small molecule

    AlogP:
    4.59

    Polar Surface Area:
    134.49

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  11. ALA3684064

    Name:
    US9102637, 251

    Mol. Formula:
    C23H18N6O2S2

    M.W.:
    474.57

    Type:
    Small molecule

    AlogP:
    4.70

    Polar Surface Area:
    114.93

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  12. ALA3684063

    Name:
    US9102637, 250

    Mol. Formula:
    C24H19N7O2S

    M.W.:
    469.53

    Type:
    Small molecule

    AlogP:
    4.03

    Polar Surface Area:
    127.82

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  13. ALA3684062

    Name:
    US9102637, 249

    Mol. Formula:
    C25H19FN6O2S

    M.W.:
    486.53

    Type:
    Small molecule

    AlogP:
    4.78

    Polar Surface Area:
    114.93

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  14. ALA3639829

    Name:
    US9102637, 248

    Mol. Formula:
    C26H22N6O3S

    M.W.:
    498.57

    Type:
    Small molecule

    AlogP:
    4.64

    Polar Surface Area:
    124.16

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  15. ALA3684061

    Name:
    US9102637, 246

    Mol. Formula:
    C26H22N6O3S

    M.W.:
    498.57

    Type:
    Small molecule

    AlogP:
    4.13

    Polar Surface Area:
    135.16

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  16. ALA3684060

    Name:
    US9102637, 244

    Mol. Formula:
    C24H20N8O2S

    M.W.:
    484.55

    Type:
    Small molecule

    AlogP:
    3.73

    Polar Surface Area:
    140.71

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  17. ALA3684059

    Name:
    US9102637, 243

    Mol. Formula:
    C24H18N8O4S

    M.W.:
    514.53

    Type:
    Small molecule

    AlogP:
    3.94

    Polar Surface Area:
    170.96

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  18. ALA3684058

    Name:
    US9102637, 239

    Mol. Formula:
    C25H19N7O4S

    M.W.:
    513.54

    Type:
    Small molecule

    AlogP:
    4.54

    Polar Surface Area:
    158.07

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  19. ALA3684057

    Name:
    US9102637, 238

    Mol. Formula:
    C26H22N6O2S

    M.W.:
    482.57

    Type:
    Small molecule

    AlogP:
    4.94

    Polar Surface Area:
    114.93

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  20. ALA3684056

    Name:
    US9102637, 237

    Mol. Formula:
    C26H22N6O2S

    M.W.:
    482.57

    Type:
    Small molecule

    AlogP:
    4.94

    Polar Surface Area:
    114.93

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
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