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  1. ALA5219125

    Name:
    [4-[[4-amino-6-(5-chloro-2-ethoxy-phenyl)-1,3,5-triazin-2-yl]amino]phenyl]mShow More

    Mol. Formula:
    C18H18ClN5O2

    M.W.:
    371.83

    Type:
    ---

    AlogP:
    3.41

    Polar Surface Area:
    106.18

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  2. ALA3217177

    Name:
    (Z)-1-(3-(dimethylamino)propyl)-3-((4-(4-ethylpiperazine-1-carbonyl)-3,5-diShow More

    Mol. Formula:
    C27H38Cl2FN5O2

    M.W.:
    554.54

    Type:
    Small molecule

    AlogP:
    3.39

    Polar Surface Area:
    62.89

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  3. ALA3216969

    Name:
    (Z)-3-((3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2-yl)methyShow More

    Mol. Formula:
    C26H36Cl2FN5O2

    M.W.:
    540.51

    Type:
    Small molecule

    AlogP:
    3.00

    Polar Surface Area:
    62.89

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  4. ALA3216968

    Name:
    (Z)-N-(2-(dimethylamino)ethyl)-5-((1-(3-(dimethylamino)propyl)-5-fluoro-2-oShow More

    Mol. Formula:
    C25H36Cl2FN5O2

    M.W.:
    528.50

    Type:
    Small molecule

    AlogP:
    2.90

    Polar Surface Area:
    71.68

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  5. ALA3216512

    Name:
    (Z)-5-chloro-1-(3-(dimethylamino)propyl)-3-((4-(4-ethylpiperazine-1-carbonyShow More

    Mol. Formula:
    C27H39Cl4N5O2

    M.W.:
    607.45

    Type:
    Small molecule

    AlogP:
    3.90

    Polar Surface Area:
    62.89

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  6. ALA3216511

    Name:
    (Z)-5-chloro-3-((3,5-dimethyl-4-(4-methylpiperazine-1-carbonyl)-1H-pyrrol-2Show More

    Mol. Formula:
    C26H37Cl4N5O2

    M.W.:
    593.43

    Type:
    Small molecule

    AlogP:
    3.51

    Polar Surface Area:
    62.89

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  7. ALA3216294

    Name:
    (Z)-5-((5-chloro-1-(3-(dimethylamino)propyl)-2-oxoindolin-3-ylidene)methyl)Show More

    Mol. Formula:
    C25H37Cl4N5O2

    M.W.:
    581.42

    Type:
    Small molecule

    AlogP:
    3.42

    Polar Surface Area:
    71.68

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  8. ALA3216086

    Name:
    (Z)-N-(2-(diethylamino)ethyl)-5-((1-(3-(dimethylamino)propyl)-5-fluoro-2-oxShow More

    Mol. Formula:
    C27H40Cl2FN5O2

    M.W.:
    556.55

    Type:
    Small molecule

    AlogP:
    3.68

    Polar Surface Area:
    71.68

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  9. ALA3215854

    Name:
    (Z)-5-((5-chloro-1-(3-(dimethylamino)propyl)-2-oxoindolin-3-ylidene)methyl)Show More

    Mol. Formula:
    C27H41Cl4N5O2

    M.W.:
    609.47

    Type:
    Small molecule

    AlogP:
    4.20

    Polar Surface Area:
    71.68

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  10. ALA3142775

    Name:
    (2R,3S,5R)-5-(6-Amino-2-chloro-purin-7-yl)-4-fluoro-2-hydroxymethyl-tetrahyShow More

    Mol. Formula:
    C10H11ClFN5O3

    M.W.:
    303.68

    Type:
    Small molecule

    AlogP:
    -0.35

    Polar Surface Area:
    119.31

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  11. ALA1782685

    Name:
    (Z)-5-chloro-3-((3,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-2-yl)methShow More

    Mol. Formula:
    C26H34Cl2N4O2

    M.W.:
    505.49

    Type:
    Small molecule

    AlogP:
    4.75

    Polar Surface Area:
    59.65

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  12. ALA1782684

    Name:
    (Z)-3-((3,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrol-2-yl)methylene)-1-Show More

    Mol. Formula:
    C26H34ClFN4O2

    M.W.:
    489.04

    Type:
    Small molecule

    AlogP:
    4.24

    Polar Surface Area:
    59.65

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.67

    DETAILS
  13. ALA1782683

    Name:
    (Z)-3-((3,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-2-yl)methylene)-1Show More

    Mol. Formula:
    C25H32ClFN4O2

    M.W.:
    475.01

    Type:
    Small molecule

    AlogP:
    3.85

    Polar Surface Area:
    59.65

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  14. ALA1782678

    Name:
    (Z)-5-((5-chloro-1-(3-(dimethylamino)propyl)-2-oxoindolin-3-ylidene)methyl)Show More

    Mol. Formula:
    C25H34Cl2N4O2

    M.W.:
    493.48

    Type:
    Small molecule

    AlogP:
    4.61

    Polar Surface Area:
    59.65

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  15. ALA1782677

    Name:
    (Z)-5-((1-(3-(dimethylamino)propyl)-5-fluoro-2-oxoindolin-3-ylidene)methyl)Show More

    Mol. Formula:
    C25H34ClFN4O2

    M.W.:
    477.02

    Type:
    Small molecule

    AlogP:
    4.09

    Polar Surface Area:
    59.65

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  16. ALA1782676

    Name:
    (Z)-5-((5-chloro-1-(3-(dimethylamino)propyl)-2-oxoindolin-3-ylidene)methyl)Show More

    Mol. Formula:
    C23H30Cl2N4O2

    M.W.:
    465.43

    Type:
    Small molecule

    AlogP:
    3.83

    Polar Surface Area:
    59.65

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  17. ALA1782675

    Name:
    (Z)-5-((1-(3-(dimethylamino)propyl)-5-fluoro-2-oxoindolin-3-ylidene)methyl)Show More

    Mol. Formula:
    C23H30ClFN4O2

    M.W.:
    448.97

    Type:
    Small molecule

    AlogP:
    3.31

    Polar Surface Area:
    59.65

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  18. ALA1782671

    Name:
    (Z)-5-chloro-3-((3,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrol-2-yl)metShow More

    Mol. Formula:
    C25H32Cl2N4O2

    M.W.:
    491.46

    Type:
    Small molecule

    AlogP:
    4.36

    Polar Surface Area:
    59.65

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
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