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Items 1-20 of 41

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  1. ALA3392212

    Name:
    2-[(3-Amino-propenylamino)-methyl]-5-(6-amino-puri
    Show More

    Mol. Formula:
    C13H19N7O3

    M.W.:
    321.34

    Type:
    Small molecule

    AlogP:
    -1.91

    Polar Surface Area:
    157.36

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  2. ALA3392182

    Name:
    2-Amino-4-{[5-(6-amino-purin-9-yl)-3,4-dihydroxy-t
    Show More

    Mol. Formula:
    C16H25IN6O5S

    M.W.:
    540.38

    Type:
    Small molecule

    AlogP:
    -1.53

    Polar Surface Area:
    182.63

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  3. ALA3392141

    Name:
    2-{[(3-Amino-propyl)-methyl-amino]-methyl}-5-(6-am
    Show More

    Mol. Formula:
    C14H25Cl2N7O3

    M.W.:
    410.31

    Type:
    Small molecule

    AlogP:
    -1.69

    Polar Surface Area:
    148.57

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  4. ALA1202794

    Name:
    4-Amidino-6-acetylpyridine 2'-Amidinohydrazone dih
    Show More

    Mol. Formula:
    C9H15Cl2N7

    M.W.:
    292.17

    Type:
    Small molecule

    AlogP:
    -0.64

    Polar Surface Area:
    139.52

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  5. Type:
    Small molecule

    AlogP:
    -0.11

    Polar Surface Area:
    126.63

    HBA:
    3

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  6. ALA1202792

    Name:
    2-Amidino-6-acetylpyridine 2'-Amidinohydrazone dih
    Show More

    Mol. Formula:
    C9H15Cl2N7

    M.W.:
    292.17

    Type:
    Small molecule

    AlogP:
    -0.64

    Polar Surface Area:
    139.52

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  7. ALA1088977

    Name:
    2-Amino-4-{[5-(6-amino-purin-9-yl)-3,4-dihydroxy-t
    Show More

    Mol. Formula:
    C15H22N6O5S

    M.W.:
    398.45

    Type:
    Small molecule

    AlogP:
    -3.26

    Polar Surface Area:
    185.46

    HBA:
    11

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  8. ALA611902

    Name:
    3-{[5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydr
    Show More

    Mol. Formula:
    C14H19N7O3

    M.W.:
    333.35

    Type:
    Small molecule

    AlogP:
    -1.13

    Polar Surface Area:
    146.34

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  9. ALA611588

    Name:
    N-[5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro
    Show More

    Mol. Formula:
    C11H16N8O3

    M.W.:
    308.30

    Type:
    Small molecule

    AlogP:
    -2.49

    Polar Surface Area:
    181.21

    HBA:
    9

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  10. ALA610704

    Name:
    2-[(3-Amino-propylamino)-methyl]-5-(6-amino-purin-
    Show More

    Mol. Formula:
    C13H21N7O3

    M.W.:
    323.36

    Type:
    Small molecule

    AlogP:
    -2.03

    Polar Surface Area:
    157.36

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  11. ALA610142

    Name:
    2-(6-Amino-purin-9-yl)-5-[(3-methylamino-propylami
    Show More

    Mol. Formula:
    C14H23N7O3

    M.W.:
    337.38

    Type:
    Small molecule

    AlogP:
    -1.77

    Polar Surface Area:
    143.37

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  12. ALA610141

    Name:
    2-[(2-Amino-ethylamino)-methyl]-5-(6-amino-purin-9
    Show More

    Mol. Formula:
    C12H19N7O3

    M.W.:
    309.33

    Type:
    Small molecule

    AlogP:
    -2.42

    Polar Surface Area:
    157.36

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  13. ALA604606

    Name:
    2-{[(3-Amino-propyl)-methyl-amino]-methyl}-5-(6-am
    Show More

    Mol. Formula:
    C14H23N7O3

    M.W.:
    337.38

    Type:
    Small molecule

    AlogP:
    -1.69

    Polar Surface Area:
    148.57

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  14. ALA538110

    Name:
    (3-Amino-propyl)-[5-(6-amino-purin-9-yl)-3,4-dihyd
    Show More

    Mol. Formula:
    C14H23BrN6O3S

    M.W.:
    435.35

    Type:
    Small molecule

    AlogP:
    -1.38

    Polar Surface Area:
    145.33

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  15. ALA540135

    Name:
    [5-(6-Amino-purin-9-yl)-3,4-dihydroxy-tetrahydro-f
    Show More

    Mol. Formula:
    C12H18IN5O3S

    M.W.:
    439.28

    Type:
    Small molecule

    AlogP:
    -1.09

    Polar Surface Area:
    119.31

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  16. Type:
    Small molecule

    AlogP:
    -1.69

    Polar Surface Area:
    148.52

    HBA:
    4

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  17. ALA191400

    Name:
    (2Z)-2-((2E)-2-{[(E)-amino(imino)methyl]hydrazono}
    Show More

    Mol. Formula:
    C5H12N8

    M.W.:
    184.21

    Type:
    Small molecule

    AlogP:
    -1.69

    Polar Surface Area:
    148.52

    HBA:
    4

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  18. ALA151222

    Name:
    4-{3-[(Z)-amino(imino)methyl]phenyl}pyrimidine-2-c
    Show More

    Mol. Formula:
    C12H12N6

    M.W.:
    240.27

    Type:
    Small molecule

    AlogP:
    0.71

    Polar Surface Area:
    125.52

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  19. ALA151197

    Name:
    2,2'-bipyridine-6,6'-dicarboximidamide

    Cas Number:
    144205-77-6

    Mol. Formula:
    C12H12N6

    M.W.:
    240.27

    Type:
    Small molecule

    AlogP:
    0.71

    Polar Surface Area:
    125.52

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  20. ALA151196

    Name:
    (2E)-2-(1-{3-[(E)-amino(imino)methyl]phenyl}propyl
    Show More

    Mol. Formula:
    C11H16N6

    M.W.:
    232.29

    Type:
    Small molecule

    AlogP:
    0.36

    Polar Surface Area:
    126.63

    HBA:
    3

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
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