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  1. ALA1077921

    Name:
    N alpha-(2-naphthyl-sulfonyl-glycyl)-D,L-(p-amidin
    Show More

    Cas Number:
    86845-59-2

    Mol. Formula:
    C27H31N5O4S

    M.W.:
    521.64

    Type:
    Small molecule

    AlogP:
    2.14

    Polar Surface Area:
    145.45

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  2. ALA1160522

    Name:
    4-[3-Oxo-3-piperidin-1-yl-2-(toluene-4-sulfonylami
    Show More

    Cas Number:
    80456-99-1

    Mol. Formula:
    C22H28N4O3S

    M.W.:
    428.56

    Type:
    Small molecule

    AlogP:
    2.18

    Polar Surface Area:
    116.35

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  3. ALA1160130

    Name:
    [Ala61] Hirudin55-65

    Mol. Formula:
    C62H88N12O25S

    M.W.:
    1433.51

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA1160129

    Name:
    [Gly56] Hirudin55-65

    Mol. Formula:
    C60H88N12O29S

    M.W.:
    1473.49

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA1160128

    Name:
    [leu56] Hirudin55-65

    Mol. Formula:
    C61H92N12O27S

    M.W.:
    1457.53

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA1160116

    Name:
    [Ala58] Hirudin55-65

    Mol. Formula:
    C62H88N12O25S

    M.W.:
    1433.51

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA1160115

    Name:
    [Ala60] Hirudin55-65

    Mol. Formula:
    C62H88N12O27S

    M.W.:
    1465.51

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA1160114

    Name:
    [Ala62] Hirudin55-65

    Mol. Formula:
    C62H88N12O25S

    M.W.:
    1433.51

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA1160107

    Name:
    [Tyr56] Hirudin55-65

    Mol. Formula:
    C66H93N13O29S

    M.W.:
    1564.60

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA1160106

    Name:
    [Ala59] Hirudin55-65

    Mol. Formula:
    C61H84N12O27S

    M.W.:
    1449.47

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA1160105

    Name:
    [Ala57] Hirudin55-65

    Mol. Formula:
    C62H88N12O25S

    M.W.:
    1433.51

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA1160104

    Name:
    [D-Phe56] Hirudin55-65

    Mol. Formula:
    C64H90N12O27S

    M.W.:
    1491.55

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA1160101

    Name:
    [Ala64] Hirudin55-65

    Mol. Formula:
    C61H84N12O27S

    M.W.:
    1449.47

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA1160100

    Name:
    [Ala65] Hirudin55-65

    Mol. Formula:
    C62H87N11O26S

    M.W.:
    1434.50

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA1160099

    Name:
    [Sar60] Hirudin54-65

    Mol. Formula:
    C64H91N13O28S

    M.W.:
    1522.56

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA1160095

    Name:
    [Leu59] Hirudin54-65

    Mol. Formula:
    C66H93N13O28S

    M.W.:
    1548.60

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  17. ALA1160094

    Name:
    [D-Leu,Ala65] Hirudin55-65

    Mol. Formula:
    C62H87N11O26S

    M.W.:
    1434.50

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  18. ALA1159883

    Name:
    2-{3-[4-Chloro-1-oxo-7-(3-phenyl-ureido)-1H-isochr
    Show More

    Mol. Formula:
    C20H19ClN4O4S

    M.W.:
    446.92

    Type:
    Small molecule

    AlogP:
    4.49

    Polar Surface Area:
    130.44

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  19. ALA1159882

    Name:
    N-[3-(2-Carbamimidoylsulfanyl-ethoxy)-4-chloro-1-o
    Show More

    Mol. Formula:
    C20H18ClN3O4S

    M.W.:
    431.90

    Type:
    Small molecule

    AlogP:
    3.63

    Polar Surface Area:
    118.41

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  20. ALA1159881

    Name:
    {1-[3-(3-Carbamimidoylsulfanyl-propoxy)-4-chloro-1
    Show More

    Mol. Formula:
    C27H31ClN4O6S

    M.W.:
    575.09

    Type:
    Small molecule

    AlogP:
    4.92

    Polar Surface Area:
    156.74

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
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