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  1. ALA4783568

    Name:
    (E)-2-((5-Chloro-2-((4-(((2-((2-(2-cyano-4-methylpent-2-enamido)ethyl)aminoShow More

    Mol. Formula:
    C32H32ClN9O4

    M.W.:
    642.12

    Type:
    Unknown

    AlogP:
    3.82

    Polar Surface Area:
    190.03

    HBA:
    11

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  2. ALA4777260

    Name:
    2-((2-((4-(((2-((2-Acrylamidoethyl)amino)-3,4-dioxocyclobut-1-en-1-yl)aminoShow More

    Mol. Formula:
    C29H27F3N8O4

    M.W.:
    608.58

    Type:
    Unknown

    AlogP:
    3.26

    Polar Surface Area:
    166.24

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  3. ALA4752642

    Name:
    2-(2-(4-((2-(2-acrylamidoethylamino)-3,4-dioxocyclobut-1-enylamino)methyl)pShow More

    Mol. Formula:
    C28H27ClN8O4

    M.W.:
    575.03

    Type:
    Unknown

    AlogP:
    2.90

    Polar Surface Area:
    166.24

    HBA:
    10

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  4. ALA4751164

    Name:
    N-(2-((2-((4-((5-Chloro-4-(((2-(N-methylmethylsulfonamido)-pyridin-3-yl)metShow More

    Mol. Formula:
    C28H30ClN9O5S

    M.W.:
    640.13

    Type:
    Unknown

    AlogP:
    2.20

    Polar Surface Area:
    187.41

    HBA:
    12

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  5. ALA3987106

    Name:

    Mol. Formula:
    C25H28F3N7O3S

    M.W.:
    563.61

    Type:
    Small molecule

    AlogP:
    3.79

    Polar Surface Area:
    112.58

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  6. ALA3965256

    Name:
    N-allyl-N-(3-((2-(3-bromo-4-morpholinophenylamino)-5-(trifluoromethyl)pyrimShow More

    Mol. Formula:
    C25H27BrF3N7O3S

    M.W.:
    642.50

    Type:
    Small molecule

    AlogP:
    4.80

    Polar Surface Area:
    112.58

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  7. ALA3958414

    Name:

    Mol. Formula:
    C25H26F3N7O3S

    M.W.:
    561.59

    Type:
    Small molecule

    AlogP:
    3.88

    Polar Surface Area:
    112.58

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  8. ALA3949755

    Name:

    Mol. Formula:
    C21H21F3N6O2S

    M.W.:
    478.50

    Type:
    Small molecule

    AlogP:
    3.96

    Polar Surface Area:
    100.11

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  9. ALA3939286

    Name:

    Mol. Formula:
    C28H24F3N7O3S

    M.W.:
    595.61

    Type:
    Small molecule

    AlogP:
    4.73

    Polar Surface Area:
    120.42

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  10. ALA3936048

    Name:
    5-(N-(2-((2-(indolin-5-ylamino)-5-(trifluoromethyl)pyrimidin-4-ylamino)methShow More

    Mol. Formula:
    C27H31F3N6O4S

    M.W.:
    592.64

    Type:
    Small molecule

    AlogP:
    5.23

    Polar Surface Area:
    136.55

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  11. ALA3914036

    Name:

    Mol. Formula:
    C24H24F3N7O3S

    M.W.:
    547.56

    Type:
    Small molecule

    AlogP:
    3.70

    Polar Surface Area:
    120.42

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  12. ALA3912281

    Name:

    Mol. Formula:
    C23H22F3N7O3S

    M.W.:
    533.54

    Type:
    Small molecule

    AlogP:
    3.21

    Polar Surface Area:
    129.21

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  13. ALA3898282

    Name:
    N-allyl-N-(4-(((2-(3-bromo-4-morpholinophenylamino)-5-(trifluoromethyl)pyriShow More

    Mol. Formula:
    C26H29BrF3N7O3S

    M.W.:
    656.53

    Type:
    Small molecule

    AlogP:
    4.82

    Polar Surface Area:
    103.79

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  14. ALA3892377

    Name:
    N-allyl-N-(3-((2-(3-bromophenylamino)-5-(trifluoromethyl)pyrimidin-4-ylaminShow More

    Mol. Formula:
    C21H20BrF3N6O2S

    M.W.:
    557.40

    Type:
    Small molecule

    AlogP:
    4.96

    Polar Surface Area:
    100.11

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  15. ALA2448536

    Name:
    N4-((1R,2R)-2-(dimethylamino)cyclopentyl)-N2-(4-((S)-N-methylethylsulfonimiShow More

    Mol. Formula:
    C21H29F3N6OS

    M.W.:
    470.57

    Type:
    Small molecule

    AlogP:
    4.61

    Polar Surface Area:
    88.50

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  16. PF-00562271

    Name:
    N-Methy1-N-(3-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethy1-Show More

    Mol. Formula:
    C27H26F3N7O6S2

    M.W.:
    665.68

    Type:
    Small molecule

    AlogP:
    3.14

    Polar Surface Area:
    129.21

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  17. ALA2207822

    Name:
    1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(5-(4-methoxyphenyl)-1H-pyrazoShow More

    Mol. Formula:
    C25H28N6O2

    M.W.:
    444.54

    Type:
    Small molecule

    AlogP:
    5.52

    Polar Surface Area:
    96.86

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  18. ALA2207821

    Name:
    7-(3-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)ureido)-N-(3-chlorophenyl)-1H-Show More

    Mol. Formula:
    C30H29ClN6O2

    M.W.:
    541.06

    Type:
    Small molecule

    AlogP:
    7.51

    Polar Surface Area:
    103.84

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  19. ALA2207442

    Name:
    1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(5-(hydroxymethyl)-1H-pyrazol-Show More

    Mol. Formula:
    C19H24N6O2

    M.W.:
    368.44

    Type:
    Small molecule

    AlogP:
    3.34

    Polar Surface Area:
    107.86

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  20. ALA2207434

    Name:
    1-(3-tert-butyl-1-p-tolyl-1H-pyrazol-5-yl)-3-(5-(5-methoxypyrazin-2-yl)-1H-Show More

    Mol. Formula:
    C23H26N8O2

    M.W.:
    446.52

    Type:
    Small molecule

    AlogP:
    4.31

    Polar Surface Area:
    122.64

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
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