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  1. ALA474465

    Name:
    meliantrol

    Mol. Formula:
    C28H46O5

    M.W.:
    462.67

    Type:
    Small molecule

    AlogP:
    4.17

    Polar Surface Area:
    90.15

    HBA:
    5

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  2. ALA477129

    Name:
    giganticine

    Mol. Formula:
    C13H16N2O5

    M.W.:
    280.28

    Type:
    Small molecule

    AlogP:
    1.52

    Polar Surface Area:
    104.73

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  3. ALA102818

    Name:
    (2S,3S)-2-[((R)-1-{(R)-2-[2-(2-Amino-5-guanidino-pentanoylamino)-3-((R)-4-hShow More

    Mol. Formula:
    C31H50N8O8

    M.W.:
    662.79

    Type:
    Protein

    AlogP:
    -1.34

    Polar Surface Area:
    275.79

    HBA:
    9

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  4. ALA316746

    Name:
    N-{3-[(5R,8S,11S,14S,16aS)-8-(4-Hydroxy-benzyl)-14-((S)-1-hydroxy-ethyl)-5-Show More

    Mol. Formula:
    C30H46N8O7

    M.W.:
    630.75

    Type:
    Protein

    AlogP:
    -1.64

    Polar Surface Area:
    241.57

    HBA:
    8

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  5. ALA292761

    Name:
    2-[1-[2-[1-[1-amino-4-amino(imino)methylamino-(1S)-butylcarboxamido]-2-(4-hShow More

    Mol. Formula:
    C31H50N8O8

    M.W.:
    662.79

    Type:
    Protein

    AlogP:
    -1.39

    Polar Surface Area:
    267.00

    HBA:
    9

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  6. ALA65750

    Name:
    2-[1-[2-[1-[1-amino-4-amino(imino)methylamino-(1S)-butylcarboxamido]-2-(4-hShow More

    Mol. Formula:
    C31H50N8O8

    M.W.:
    662.79

    Type:
    Protein

    AlogP:
    -1.39

    Polar Surface Area:
    267.00

    HBA:
    9

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  7. ALA305356

    Name:
    2-[1-[2-[1-[1-amino-4-amino(imino)methylamino-(1S)-butyl(methyl)carboxamidoShow More

    Mol. Formula:
    C31H50N8O8

    M.W.:
    662.79

    Type:
    Protein

    AlogP:
    -1.39

    Polar Surface Area:
    267.00

    HBA:
    9

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  8. ALA305355

    Name:
    2-[1-[2-[1-[1-amino-4-amino(imino)methylamino-(1S)-butylcarboxamido]-2-(4-hShow More

    Mol. Formula:
    C30H48N8O8

    M.W.:
    648.76

    Type:
    Protein

    AlogP:
    -1.73

    Polar Surface Area:
    275.79

    HBA:
    9

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
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