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  1. ALA5266336

    Name:
    7-amino-5-chloroquinolin-8-ol

    Mol. Formula:
    C9H7ClN2O

    M.W.:
    194.62

    Type:
    ---

    AlogP:
    2.18

    Polar Surface Area:
    59.14

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.50

    DETAILS
  2. ALA4584813

    Name:
    N1,N3-bis(4-(2-(N-((R)-4-(1,3-dioxoisoindolin-2-yl)-1-(hydroxyamino)-1-oxobShow More

    Mol. Formula:
    C70H72N10O18S2

    M.W.:
    1405.53

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA4518217

    Name:
    N1,N3-bis(2-(N-((R)-4-(1,3-dioxoisoindolin-2-yl)-1-(hydroxyamino)-1-oxobutaShow More

    Mol. Formula:
    C62H58N8O16S2

    M.W.:
    1235.32

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA4466038

    Name:
    N1,N3-bis(4-((R)-3-(biphenyl-4-ylsulfonamido)-4-(hydroxyamino)-4-oxobutylamShow More

    Mol. Formula:
    C48H54N8O12S2

    M.W.:
    999.14

    Type:
    Unknown

    AlogP:
    2.76

    Polar Surface Area:
    307.40

    HBA:
    12

    HBD:
    10

    #RO5 Violations:
    3

    #Rotatable Bonds:
    26

    Passes Ro3:
    N

    QED Weighted:
    0.02

    DETAILS
  5. ALA4442617

    Name:
    N1,N3-bis((R)-3-(biphenyl-4-ylsulfonamido)-4-(hydroxyamino)-4-oxobutyl)isopShow More

    Mol. Formula:
    C40H40N6O10S2

    M.W.:
    828.93

    Type:
    Unknown

    AlogP:
    2.97

    Polar Surface Area:
    249.20

    HBA:
    10

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  6. ALA4228812

    Name:
    3-((E)-(4-(((6S,9S,15S,18S,21S,24S,27S,30S)-1-amino-6-(2-aminoacetamido)-15Show More

    Mol. Formula:
    C87H126N25O15+

    M.W.:
    1762.13

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA4228718

    Name:
    (6S,15S,18S,21S,24S,27S,30S)-1-amino-6-(2-aminoacetamido)-30-(4-aminobutyl)Show More

    Mol. Formula:
    C54H93N19O14

    M.W.:
    1232.46

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA4228641

    Name:
    (6S,15S,18S,21S,24S,27S,30S)-1-amino-6-(2-aminoacetamido)-15-benzyl-9-sec-bShow More

    Mol. Formula:
    C86H127N25O20

    M.W.:
    1831.12

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA4228360

    Name:
    2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-Show More

    Mol. Formula:
    C60H104N20O17

    M.W.:
    1377.62

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA3675607

    Name:
    Inhibitor, 10::US8691753, 105

    Mol. Formula:
    C24H24N2O4S

    M.W.:
    436.53

    Type:
    Small molecule

    AlogP:
    3.85

    Polar Surface Area:
    109.49

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  11. ALA3675598

    Name:
    US8691753, 100

    Mol. Formula:
    C28H29N3O7S

    M.W.:
    551.62

    Type:
    Small molecule

    AlogP:
    2.81

    Polar Surface Area:
    175.89

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  12. ALA3675597

    Name:
    US8691753, 99

    Mol. Formula:
    C29H32N4O6S

    M.W.:
    564.66

    Type:
    Small molecule

    AlogP:
    2.60

    Polar Surface Area:
    181.68

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  13. ALA3675588

    Name:
    US8691753, 87

    Mol. Formula:
    C21H25N3O6S

    M.W.:
    447.51

    Type:
    Small molecule

    AlogP:
    0.66

    Polar Surface Area:
    158.82

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  14. ALA3675584

    Name:
    US8691753, 83

    Mol. Formula:
    C22H25N3O7S

    M.W.:
    475.52

    Type:
    Small molecule

    AlogP:
    1.14

    Polar Surface Area:
    175.89

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  15. ALA3675563

    Name:
    US8691753, 61::US8691753, 72

    Mol. Formula:
    C31H33N3O7

    M.W.:
    559.62

    Type:
    Small molecule

    AlogP:
    3.14

    Polar Surface Area:
    175.89

    HBA:
    5

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  16. ALA3675556

    Name:
    US8691753, 54

    Mol. Formula:
    C25H29N3O8

    M.W.:
    499.52

    Type:
    Small molecule

    AlogP:
    1.18

    Polar Surface Area:
    196.12

    HBA:
    6

    HBD:
    6

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  17. ALA3675548

    Name:
    US8691753, 46

    Mol. Formula:
    C29H31N3O6

    M.W.:
    517.58

    Type:
    Small molecule

    AlogP:
    2.55

    Polar Surface Area:
    158.82

    HBA:
    5

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  18. ALA3675542

    Name:
    US8691753, 38

    Mol. Formula:
    C22H27N3O5S

    M.W.:
    445.54

    Type:
    Small molecule

    AlogP:
    2.08

    Polar Surface Area:
    138.59

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  19. ALA3675541

    Name:
    US8691753, 37

    Mol. Formula:
    C21H26N4O5S

    M.W.:
    446.53

    Type:
    Small molecule

    AlogP:
    1.47

    Polar Surface Area:
    151.48

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  20. ALA3670700

    Name:
    US8691753, 15

    Mol. Formula:
    C17H19N3O5

    M.W.:
    345.36

    Type:
    Small molecule

    AlogP:
    1.11

    Polar Surface Area:
    135.52

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
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