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  1. ALA4216002

    Name:
    sodium(2R,3R,4S)-2-((2S,3R,4R,5R,6R)-3-acetamido-2
    Show More

    Mol. Formula:
    C32H43NNa8O43S6

    M.W.:
    1505.98

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA4210593

    Name:
    sodium(2R,3R,4S)-2-((2S,3R,4R,5R,6R)-3-acetamido-2
    Show More

    Mol. Formula:
    C52H69N2Na13O70S10

    M.W.:
    2461.61

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA4204328

    Name:
    sodium(2R,3R,4S)-2-((2S,3R,4S,5R)-2-acetamido-1,5-
    Show More

    Mol. Formula:
    C20H28NNa5O27S4

    M.W.:
    957.64

    Type:
    Small molecule

    AlogP:
    -6.21

    Polar Surface Area:
    438.64

    HBA:
    22

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  4. ALA3289046

    Name:
    N-((trans)-4-Aminocyclohexyl)-3-(4-carbamimidoylph
    Show More

    Mol. Formula:
    C27H29ClN4O3

    M.W.:
    493.01

    Type:
    Small molecule

    AlogP:
    5.00

    Polar Surface Area:
    123.45

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  5. ALA3289042

    Name:
    N-((trans)-4-Aminocyclohexyl)-3-((4-carbamimidoylb
    Show More

    Mol. Formula:
    C28H32N6O3

    M.W.:
    500.60

    Type:
    Small molecule

    AlogP:
    3.63

    Polar Surface Area:
    173.32

    HBA:
    6

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  6. ALA3289041

    Name:
    N-((trans)-4-Aminocyclohexyl)-3-(4-carbamimidoylph
    Show More

    Mol. Formula:
    C27H29N5O4

    M.W.:
    487.56

    Type:
    Small molecule

    AlogP:
    3.65

    Polar Surface Area:
    166.54

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  7. ALA3143980

    Name:
    4-(2-Benzoylamino-3-methyl-pentanoylamino)-4-({[4-
    Show More

    Cas Number:
    59068-47-2

    Mol. Formula:
    C32H43N9O9

    M.W.:
    697.75

    Type:
    Small molecule

    AlogP:
    0.38

    Polar Surface Area:
    290.34

    HBA:
    9

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  8. ALA1213113

    Name:
    EP40112

    Mol. Formula:
    C315H490N53Na9O142S8

    M.W.:
    7755.06

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA1213112

    Name:
    EP40111

    Mol. Formula:
    C282H424N53Na9O126S8

    M.W.:
    7036.18

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA1213080

    Name:
    EP40114

    Mol. Formula:
    C266H392N53Na9O118S8

    M.W.:
    6683.76

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA86026

    Name:
    7-Methoxy-naphthalene-2-sulfonic acid [(S)-1-(1,6-
    Show More

    Mol. Formula:
    C25H25N5O4S

    M.W.:
    491.57

    Type:
    Small molecule

    AlogP:
    2.64

    Polar Surface Area:
    140.64

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  12. ALA85938

    Name:
    Thieno[3,2-b]pyridine-2-sulfonic acid [1-(1,6-diam
    Show More

    Mol. Formula:
    C21H20N6O3S2

    M.W.:
    468.56

    Type:
    Small molecule

    AlogP:
    2.09

    Polar Surface Area:
    144.30

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  13. ALA85096

    Name:
    7-Methoxy-naphthalene-2-sulfonic acid [(S)-1-(1-hy
    Show More

    Mol. Formula:
    C25H23N3O5S

    M.W.:
    477.54

    Type:
    Small molecule

    AlogP:
    3.18

    Polar Surface Area:
    108.83

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  14. ALA315372

    Name:
    7-Methoxy-naphthalene-2-sulfonic acid [(S)-1-(1-ch
    Show More

    Mol. Formula:
    C25H22ClN3O4S

    M.W.:
    495.99

    Type:
    Small molecule

    AlogP:
    4.13

    Polar Surface Area:
    88.60

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  15. ALA314909

    Name:
    7-Methoxy-naphthalene-2-sulfonic acid [(S)-1-(1-am
    Show More

    Mol. Formula:
    C26H26N4O5S

    M.W.:
    506.58

    Type:
    Small molecule

    AlogP:
    3.07

    Polar Surface Area:
    123.85

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  16. ALA32044

    Name:
    [(S)-4-Guanidino-1-({[4-guanidino-1-(4-nitro-pheny
    Show More

    Mol. Formula:
    C28H39N11O7

    M.W.:
    641.69

    Type:
    Small molecule

    AlogP:
    -0.25

    Polar Surface Area:
    295.07

    HBA:
    9

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
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