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Compounds

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  1. ALA5198452

    Name:
    4-((7-Cydopropyl-5,8-dimethyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino)bShow More⌵

    Mol. Formula:
    C17H20N6O3S

    M.W.:
    388.45

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    1.06

    Polar Surface Area:
    121.52

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  2. ALA5196108

    Name:
    4-((7-(2-Chlorophenyl)-5,8-dimethyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)aShow More⌵

    Mol. Formula:
    C20H19ClN6O3S

    M.W.:
    458.93

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    2.67

    Polar Surface Area:
    121.52

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  3. ALA5205996

    Name:
    4-((7-(5-Fluoro-2-methylphenyl)-5,8-dimethyl-6-oxo-5,6,7,8-tetrahydropteridShow More⌵

    Mol. Formula:
    C21H21FN6O3S

    M.W.:
    456.50

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    2.47

    Polar Surface Area:
    121.52

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  4. ALA5204658

    Name:
    4-((5,8-Dimethyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino)benzenesulfonaShow More⌵

    Mol. Formula:
    C14H16N6O3S

    M.W.:
    348.39

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    0.28

    Polar Surface Area:
    121.52

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  5. ALA5204593

    Name:
    2-(4-((5,8-Dimethyl-6-oxo-7-(o-tolyl)-5,6,7,8-tetrahydropteridin-2-yl)aminoShow More⌵

    Mol. Formula:
    C25H26N6O

    M.W.:
    426.52

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    4.48

    Polar Surface Area:
    85.15

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  6. ALA5204087

    Name:
    4-((5,8-Dimethyl-6-oxo-7-(2-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydropterShow More⌵

    Mol. Formula:
    C21H19F3N6O3S

    M.W.:
    492.48

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    3.04

    Polar Surface Area:
    121.52

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  7. ALA5201386

    Name:
    4-((7-(3-Fluorophenyl)-5,8-dimethyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)aShow More⌵

    Mol. Formula:
    C20H19FN6O3S

    M.W.:
    442.48

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    2.16

    Polar Surface Area:
    121.52

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  8. ALA5201188

    Name:
    4-((7-(2,6-Difluorophenyl)-5,8-dimethyl-6-oxo-5,6,7,8-tetrahydropteridin-2-Show More⌵

    Mol. Formula:
    C21H20F2N6O3S

    M.W.:
    474.49

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    2.56

    Polar Surface Area:
    107.53

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  9. ALA5200426

    Name:
    N-(Cyclopropylmethyl)-4-((5,8-dimethyl-6-oxo-7-(o-tolyl)-5,6,7,8-tetrahydroShow More⌵

    Mol. Formula:
    C25H28N6O3S

    M.W.:
    492.61

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    3.37

    Polar Surface Area:
    107.53

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  10. ALA5200209

    Name:
    4-((7-(2-Fluorophenyl)-5,8-dimethyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)aShow More⌵

    Mol. Formula:
    C20H19FN6O3S

    M.W.:
    442.48

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    2.16

    Polar Surface Area:
    121.52

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  11. ALA5208473

    Name:
    4-((7-Ethyl-5,8-dimethyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino)benzenShow More⌵

    Mol. Formula:
    C16H20N6O3S

    M.W.:
    376.44

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    1.06

    Polar Surface Area:
    121.52

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.82

    DETAILS
  12. ALA5207903

    Name:
    4-((7-(3-Methoxyphenyl)-5,8-dimethyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)Show More⌵

    Mol. Formula:
    C21H22N6O4S

    M.W.:
    454.51

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    2.03

    Polar Surface Area:
    130.75

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  13. ALA5207430

    Name:
    4-((5,8-Dimethyl-6-oxo-7-propyl-5,6,7,8-tetrahydropteridin-2-yl)amino)benzeShow More⌵

    Mol. Formula:
    C17H22N6O3S

    M.W.:
    390.47

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    1.45

    Polar Surface Area:
    121.52

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  14. ALA5207166

    Name:
    4-((7-(2,6-Difluorophenyl)-5,8-dimethyl-6-oxo-5,6,7,8-tetrahydropteridin-2-Show More⌵

    Mol. Formula:
    C20H18F2N6O3S

    M.W.:
    460.47

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    2.30

    Polar Surface Area:
    121.52

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  15. ALA5206899

    Name:
    4-((7-(4-Fluorophenyl)-5,8-dimethyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)aShow More⌵

    Mol. Formula:
    C20H19FN6O3S

    M.W.:
    442.48

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    2.16

    Polar Surface Area:
    121.52

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  16. ALA5206194

    Name:
    4-((5,8-Dimethyl-6-oxo-7-(o-tolyl)-5,6,7,8-tetrahydropteridin-2-yl)amino)-NShow More⌵

    Mol. Formula:
    C23H26N6O3S

    M.W.:
    466.57

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    2.93

    Polar Surface Area:
    98.74

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  17. ALA5192708

    Name:
    4-((7-isopropyl-5,8-dimethyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amino)beShow More⌵

    Mol. Formula:
    C17H22N6O3S

    M.W.:
    390.47

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    1.30

    Polar Surface Area:
    121.52

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  18. ALA5191297

    Name:
    4-((5,8-Dimethyl-6-oxo-7-(o-tolyl)-5,6,7,8-tetrahydropteridin-2-yl)amino)-NShow More⌵

    Mol. Formula:
    C22H24N6O3S

    M.W.:
    452.54

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    2.59

    Polar Surface Area:
    107.53

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  19. ALA5190201

    Name:
    4-((7-(Cyclopropylmethyl)-5,8-dimethyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yShow More⌵

    Mol. Formula:
    C18H22N6O3S

    M.W.:
    402.48

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    1.45

    Polar Surface Area:
    121.52

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  20. ALA5189483

    Name:
    4-((7-(2-Ethylphenyl)-5,8-dimethyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl)amShow More⌵

    Mol. Formula:
    C22H24N6O3S

    M.W.:
    452.54

    1  activity values

    1   unique targets

    Type:
    ---

    AlogP:
    2.58

    Polar Surface Area:
    121.52

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
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