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  1. ALA5285331

    Name:
    5-(benzylideneamino)-6-methoxy-N4-phenylpyrimidine
    Show More

    Mol. Formula:
    C18H17N5O

    M.W.:
    319.37

    Type:
    ---

    AlogP:
    3.56

    Polar Surface Area:
    85.42

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  2. ALA5283807

    Name:
    2-(((2-Amino-4-methoxy-6-(phenylamino)pyrimidin-5-
    Show More

    Mol. Formula:
    C18H17N5O2

    M.W.:
    335.37

    Type:
    ---

    AlogP:
    3.27

    Polar Surface Area:
    105.65

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  3. ALA5282483

    Name:
    6-methoxy-5-((4-methylbenzylidene)amino)-N4-phenyl
    Show More

    Mol. Formula:
    C19H19N5O

    M.W.:
    333.40

    Type:
    ---

    AlogP:
    3.87

    Polar Surface Area:
    85.42

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  4. ALA5282297

    Name:
    2-Amino-8-(4-bromophenyl)-9-phenyl-1,9-dihydro-6H-
    Show More

    Mol. Formula:
    C17H12BrN5O

    M.W.:
    382.22

    Type:
    ---

    AlogP:
    3.12

    Polar Surface Area:
    89.59

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  5. ALA5281935

    Name:
    2-Amino-8-(benzo[d][1,3]dioxol-5-yl)-9-phenyl-1,9-
    Show More

    Mol. Formula:
    C18H13N5O3

    M.W.:
    347.33

    Type:
    ---

    AlogP:
    2.09

    Polar Surface Area:
    108.05

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  6. ALA5291343

    Name:
    2-Amino-9-phenyl-8-(3,4,5-trimethoxyphenyl)-1,9-di
    Show More

    Mol. Formula:
    C20H19N5O4

    M.W.:
    393.40

    Type:
    ---

    AlogP:
    2.38

    Polar Surface Area:
    117.28

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  7. ALA5289931

    Name:
    2-Amino-9-phenyl-8-(p-tolyl)-1,9-dihydro-6H-purin-
    Show More

    Mol. Formula:
    C18H15N5O

    M.W.:
    317.35

    Type:
    ---

    AlogP:
    2.67

    Polar Surface Area:
    89.59

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  8. ALA5288242

    Name:
    6-methoxy-N4-phenyl-5-((4-(trifluoromethyl)benzyli
    Show More

    Mol. Formula:
    C19H16F3N5O

    M.W.:
    387.37

    Type:
    ---

    AlogP:
    4.58

    Polar Surface Area:
    85.42

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  9. ALA1089229

    Name:
    N-(3-Benzyl-2-cinnamylthio-4-oxo-3,4-dihydroquinaz
    Show More

    Mol. Formula:
    C33H27N3O2S

    M.W.:
    529.67

    Type:
    Small molecule

    AlogP:
    6.90

    Polar Surface Area:
    63.99

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  10. ALA1161155

    Name:
    Adamantane-1-carboxylic acid (2,4-diamino-6-methyl
    Show More

    Mol. Formula:
    C18H29N5O4S

    M.W.:
    411.53

    Type:
    Small molecule

    AlogP:
    2.10

    Polar Surface Area:
    106.92

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  11. ALA3686070

    Name:
    US8835445, 39

    Mol. Formula:
    C21H22N6O2S

    M.W.:
    422.51

    Type:
    Small molecule

    AlogP:
    3.97

    Polar Surface Area:
    121.94

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  12. ALA3686069

    Name:
    US8835445, 38

    Mol. Formula:
    C15H14ClN5O

    M.W.:
    315.76

    Type:
    Small molecule

    AlogP:
    2.83

    Polar Surface Area:
    99.94

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  13. ALA3686068

    Name:
    US8835445, 37

    Mol. Formula:
    C19H15N7O2

    M.W.:
    373.38

    Type:
    Small molecule

    AlogP:
    2.80

    Polar Surface Area:
    130.90

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  14. ALA5273429

    Name:
    6-methoxy-N4-phenyl-5-((pyridin-4-ylmethylene)amin
    Show More

    Mol. Formula:
    C17H16N6O

    M.W.:
    320.36

    Type:
    ---

    AlogP:
    2.96

    Polar Surface Area:
    98.31

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  15. ALA5270228

    Name:
    2-Amino-8-(4-isopropylphenyl)-9-phenyl-1,9-dihydro
    Show More

    Mol. Formula:
    C20H19N5O

    M.W.:
    345.41

    Type:
    ---

    AlogP:
    3.48

    Polar Surface Area:
    89.59

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  16. ALA5269398

    Name:
    2-Amino-8-(2-hydroxyphenyl)-9-phenyl-1,9-dihydro-6
    Show More

    Mol. Formula:
    C17H13N5O2

    M.W.:
    319.32

    Type:
    ---

    AlogP:
    2.06

    Polar Surface Area:
    109.82

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  17. ALA4544130

    Name:
    (R/S)-5-((1-(2-Hydroxy-3-(9-oxoacridin-10(9H)-yl)p
    Show More

    Mol. Formula:
    C31H26N4O5

    M.W.:
    534.57

    Type:
    Unknown

    AlogP:
    3.60

    Polar Surface Area:
    104.85

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  18. ALA4581410

    Name:
    (9-Oxo-9,10-dihydroacridine-4-carbonyl)glycyl-L-al
    Show More

    Mol. Formula:
    C19H17N3O5

    M.W.:
    367.36

    Type:
    Unknown

    AlogP:
    1.00

    Polar Surface Area:
    128.36

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  19. ALA4569184

    Name:
    5-(4-(o-Tolyl)piperazin-1-yl)pyrimidine-2,4-diamin
    Show More

    Mol. Formula:
    C15H20N6

    M.W.:
    284.37

    Type:
    Unknown

    AlogP:
    1.28

    Polar Surface Area:
    84.30

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  20. ALA4467394

    Name:
    (R/S)-(Z)-10-(3-(3-((1-(3-Chlorophenyl)-3-methyl-5
    Show More

    Mol. Formula:
    C35H27ClN4O3

    M.W.:
    587.08

    Type:
    Unknown

    AlogP:
    6.63

    Polar Surface Area:
    79.83

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
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