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  1. ALA5282648

    Name:
    (2-aminothiazol-4-yl)-[3-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydro-3aHShow More

    Mol. Formula:
    C12H13F3N4O2S

    M.W.:
    334.32

    Type:
    ---

    AlogP:
    1.98

    Polar Surface Area:
    91.81

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  2. ALA5282577

    Name:
    ethyl (2S)-2-amino-5-guanidino-pentanoate

    Mol. Formula:
    C8H18N4O2

    M.W.:
    202.26

    Type:
    ---

    AlogP:
    -0.86

    Polar Surface Area:
    114.22

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  3. ALA5274272

    Name:
    2-(dimethylamino)-1,3-benzothiazol-6-ol

    Mol. Formula:
    C9H10N2OS

    M.W.:
    194.26

    Type:
    ---

    AlogP:
    2.07

    Polar Surface Area:
    36.36

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  4. ALA5285058

    Name:
    (3Z)-5-bromo-3-[(3-bromo-4,5-dihydroxy-phenyl)methylene]indolin-2-one

    Mol. Formula:
    C15H9Br2NO3

    M.W.:
    411.05

    Type:
    ---

    AlogP:
    4.12

    Polar Surface Area:
    69.56

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  5. ALA5290696

    Name:
    4-[(1R)-1-aminoethyl]-N-methyl-N-(4-pyridyl)cyclohexanecarboxamide

    Mol. Formula:
    C15H23N3O

    M.W.:
    261.37

    Type:
    ---

    AlogP:
    2.20

    Polar Surface Area:
    59.22

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.91

    DETAILS
  6. ALA5289080

    Name:
    N-(4-anilinophenyl)-2-(2-methylphenoxy)acetamide

    Mol. Formula:
    C21H20N2O2

    M.W.:
    332.40

    Type:
    ---

    AlogP:
    4.76

    Polar Surface Area:
    50.36

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  7. ALA5288657

    Name:
    N-(4-anilinophenyl)-2-(3-methylphenoxy)acetamide

    Mol. Formula:
    C21H20N2O2

    M.W.:
    332.40

    Type:
    ---

    AlogP:
    4.76

    Polar Surface Area:
    50.36

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  8. ALA5288592

    Name:
    N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-iodo-4H-quinazolin-2-yl)-2-methyl-pShow More

    Mol. Formula:
    C30H35IN4O

    M.W.:
    594.54

    Type:
    ---

    AlogP:
    6.16

    Polar Surface Area:
    61.93

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  9. ALA5195936

    Name:
    4-(3-hydroxy-4-(6-(2,2,6,6-tetramethylpiperidin-4-yloxy)pyridazin-3-yl)phenShow More

    Mol. Formula:
    C24H28N4O3

    M.W.:
    420.51

    Type:
    ---

    AlogP:
    4.30

    Polar Surface Area:
    100.39

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  10. ALA5179682

    Name:
    7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-3-(1-ethylpiperidin-4-yl)-5-flShow More

    Mol. Formula:
    C23H25FN6

    M.W.:
    404.49

    Type:
    ---

    AlogP:
    4.29

    Polar Surface Area:
    59.21

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  11. ALA5175104

    Name:
    7-(1-ethylpiperidin-4-yl)-9-methyl-2-(2-methyl-2H-indazol-5-yl)-4H-pyrido[1Show More

    Mol. Formula:
    C24H27N5O

    M.W.:
    401.51

    Type:
    ---

    AlogP:
    3.76

    Polar Surface Area:
    55.43

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  12. ALA4878942

    Name:
    (S)-2-(3-(3-cyclopropylpiperazin-1-yl)-1,2,4-triazin-6-yl)-5-(2-methyl-2H-[Show More

    Mol. Formula:
    C22H23N9O

    M.W.:
    429.49

    Type:
    Unknown

    AlogP:
    1.78

    Polar Surface Area:
    117.77

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  13. ALA4877699

    Name:
    2-(3-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-[1,2,3]triazolo[4,5-c]pyridazinShow More

    Mol. Formula:
    C22H25N7OS

    M.W.:
    435.56

    Type:
    Unknown

    AlogP:
    4.20

    Polar Surface Area:
    101.64

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  14. ALA4877649

    Name:
    2-(3-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-[1,2,3]triazolo[4,5-c]pyridazinShow More

    Mol. Formula:
    C21H24N8OS

    M.W.:
    436.55

    Type:
    Unknown

    AlogP:
    3.59

    Polar Surface Area:
    114.53

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  15. ALA4875823

    Name:
    5-(1H-pyrazol-4-yl)-2-(7-(2,2,6,6-tetramethyl-1,2,3,6-tetrahydropyridin-4-yShow More

    Mol. Formula:
    C24H25N5OS

    M.W.:
    431.57

    Type:
    Unknown

    AlogP:
    5.39

    Polar Surface Area:
    86.72

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  16. ALA4875396

    Name:
    5-(4-methoxy-1,3,5-triazin-2-yl)-2-(3-(2,2,6,6-tetramethylpiperidin-4-yl)-3Show More

    Mol. Formula:
    C23H27N9O2

    M.W.:
    461.53

    Type:
    Unknown

    AlogP:
    2.94

    Polar Surface Area:
    136.65

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  17. ALA4875017

    Name:
    5-(7-fluoro-2-methyl-2H-indazol-5-yl)-2-(3-(3-(hydroxymethyl)piperazin-1-ylShow More

    Mol. Formula:
    C22H22FN7O2

    M.W.:
    435.46

    Type:
    Unknown

    AlogP:
    1.71

    Polar Surface Area:
    112.22

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  18. ALA4867927

    Name:
    2-(3-(3-ethylpiperazin-1-yl)-1,2,4-triazin-6-yl)-5-(8-fluoro-2-methylimidazShow More

    Mol. Formula:
    C23H24FN7O

    M.W.:
    433.49

    Type:
    Unknown

    AlogP:
    3.19

    Polar Surface Area:
    91.47

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  19. ALA4863336

    Name:
    (S)-2-(3-(3-cyclopropylpiperazin-1-yl)-1,2,4-triazin-6-yl)-5-(3-fluoro-1H-pShow More

    Mol. Formula:
    C19H20FN7O

    M.W.:
    381.42

    Type:
    Unknown

    AlogP:
    1.96

    Polar Surface Area:
    102.85

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  20. ALA4862205

    Name:
    5-(oxazol-2-yl)-2-(3-(2,2,6,6-tetramethylpiperidin-4-yl)-3H-[1,2,3]triazoloShow More

    Mol. Formula:
    C22H25N7O2

    M.W.:
    419.49

    Type:
    Unknown

    AlogP:
    3.73

    Polar Surface Area:
    114.78

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
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