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  1. ALA2114367

    Name:
    3-(6-Amino-purin-9-yl)-nonan-2-ol

    Cas Number:
    79854-83-4

    Mol. Formula:
    C14H23N5O

    M.W.:
    277.37

    Type:
    Small molecule

    AlogP:
    2.30

    Polar Surface Area:
    89.85

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  2. ALA2112110

    Name:
    (R)-3-((2R,5R)-4-Hydroxy-5-hydroxymethyl-tetrahydr
    Show More

    Mol. Formula:
    C12H17N3O4

    M.W.:
    267.29

    Type:
    Small molecule

    AlogP:
    0.05

    Polar Surface Area:
    100.10

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  3. ALA1651380

    Name:
    8-aza-nebularine

    Cas Number:
    38874-46-3

    Mol. Formula:
    C9H11N5O4

    M.W.:
    253.22

    Type:
    Small molecule

    AlogP:
    -2.17

    Polar Surface Area:
    126.41

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  4. ALA1651378

    Name:
    (R)-3-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetra
    Show More

    Mol. Formula:
    C11H14N4O4

    M.W.:
    266.26

    Type:
    Small molecule

    AlogP:
    -0.70

    Polar Surface Area:
    112.46

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  5. ALA1651377

    Name:
    (2R,3R,4S,5R)-2-((R)-8-hydroxyimidazo[4,5-d][1,3]d
    Show More

    Mol. Formula:
    C11H14N4O5

    M.W.:
    282.26

    Type:
    Small molecule

    AlogP:
    -1.73

    Polar Surface Area:
    132.69

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  6. ALA1555103

    Name:
    3-(6-Amino-purin-9-yl)-nonan-2-ol

    Cas Number:
    51350-19-7

    Mol. Formula:
    C14H23N5O

    M.W.:
    277.37

    Type:
    Small molecule

    AlogP:
    2.30

    Polar Surface Area:
    89.85

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  7. ALA1234234

    Name:
    5'-methylthiocoformycin

    Mol. Formula:
    C12H18N4O4S

    M.W.:
    314.37

    Type:
    Small molecule

    AlogP:
    -0.84

    Polar Surface Area:
    112.13

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  8. ALA604966

    Name:
    (2R,5R)-2-((R)-8-Hydroxy-7,8-dihydro-6H-1,3,4-tria
    Show More

    Mol. Formula:
    C12H17N3O5

    M.W.:
    283.28

    Type:
    Small molecule

    AlogP:
    -0.98

    Polar Surface Area:
    120.33

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  9. ALA359803

    Name:
    1-((1R,2S)-1-{2-[2-(4-Chloro-phenyl)-benzooxazol-7
    Show More

    Mol. Formula:
    C22H21ClN4O3

    M.W.:
    424.89

    Type:
    Small molecule

    AlogP:
    4.00

    Polar Surface Area:
    107.17

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  10. ALA341027

    Name:
    3-(6-Amino-purin-9-yl)-4-phenyl-butan-2-ol

    Mol. Formula:
    C15H17N5O

    M.W.:
    283.33

    Type:
    Small molecule

    AlogP:
    1.57

    Polar Surface Area:
    89.85

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  11. ALA132108

    Name:
    3-(6-Amino-purin-9-yl)-undecan-2-ol

    Mol. Formula:
    C16H27N5O

    M.W.:
    305.43

    Type:
    Small molecule

    AlogP:
    3.08

    Polar Surface Area:
    89.85

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  12. ALA124728

    Name:
    1-{1-((R)-Hydroxymethyl)-3-[6-(4-p-tolyl-butyrylam
    Show More

    Mol. Formula:
    C27H31N5O3

    M.W.:
    473.58

    Type:
    Small molecule

    AlogP:
    3.83

    Polar Surface Area:
    115.17

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  13. ALA340086

    Name:
    1-{1-((R)-Hydroxymethyl)-3-[6-(3-pyridin-3-yl-prop
    Show More

    Mol. Formula:
    C24H26N6O3

    M.W.:
    446.51

    Type:
    Small molecule

    AlogP:
    2.53

    Polar Surface Area:
    128.06

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  14. ALA125386

    Name:
    1-[3-[6-(3-Benzyl-ureido)-indol-1-yl]-1-((R)-hydro
    Show More

    Mol. Formula:
    C24H26N6O3

    M.W.:
    446.51

    Type:
    Small molecule

    AlogP:
    2.88

    Polar Surface Area:
    127.20

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  15. ALA332298

    Name:
    1-{(R)-1-Hydroxymethyl-3-[6-(3-phenyl-propoxy)-ind
    Show More

    Mol. Formula:
    C25H28N4O3

    M.W.:
    432.52

    Type:
    Small molecule

    AlogP:
    3.57

    Polar Surface Area:
    95.30

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  16. ALA340297

    Name:
    1-((R)-3-{5-[3-(4-Chloro-phenyl)-propoxy]-1-methyl
    Show More

    Mol. Formula:
    C26H29ClN4O3

    M.W.:
    481.00

    Type:
    Small molecule

    AlogP:
    4.30

    Polar Surface Area:
    95.30

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  17. ALA125208

    Name:
    1-(1-((R)-Hydroxymethyl)-3-{6-[3-(4-methoxy-phenyl
    Show More

    Mol. Formula:
    C26H29N5O4

    M.W.:
    475.55

    Type:
    Small molecule

    AlogP:
    3.14

    Polar Surface Area:
    124.40

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  18. ALA123620

    Name:
    1-{(R)-1-Hydroxymethyl-3-[6-(4-phenyl-butoxy)-indo
    Show More

    Mol. Formula:
    C26H30N4O3

    M.W.:
    446.55

    Type:
    Small molecule

    AlogP:
    3.96

    Polar Surface Area:
    95.30

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  19. ALA333809

    Name:
    1-[(R)-3-(6-Hexyloxy-indol-1-yl)-1-hydroxymethyl-p
    Show More

    Mol. Formula:
    C22H30N4O3

    M.W.:
    398.51

    Type:
    Small molecule

    AlogP:
    3.52

    Polar Surface Area:
    95.30

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  20. ALA125275

    Name:
    1-[(R)-3-(6-Butoxy-indol-1-yl)-1-hydroxymethyl-pro
    Show More

    Mol. Formula:
    C20H26N4O3

    M.W.:
    370.45

    Type:
    Small molecule

    AlogP:
    2.74

    Polar Surface Area:
    95.30

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
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