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  1. ALA5198332

    Name:
    1-(5-methylhexanoyl)-9H-pyrido[3,4-b]indole-3-carb
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    Mol. Formula:
    C19H20N2O3

    M.W.:
    324.38

    Type:
    ---

    AlogP:
    4.42

    Polar Surface Area:
    83.05

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  2. ALA4168698

    Name:
    (Z)-(16-Hydroxyhexadec-9-enoyl)-L-alanine Methyl E
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    Mol. Formula:
    C20H37NO4

    M.W.:
    355.52

    Type:
    Small molecule

    AlogP:
    3.89

    Polar Surface Area:
    75.63

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  3. ALA3581619

    Name:
    deconin A

    Mol. Formula:
    C21H30O5

    M.W.:
    362.47

    Type:
    Small molecule

    AlogP:
    3.93

    Polar Surface Area:
    83.83

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  4. ALA3259982

    Name:
    (3E)-4-[3-(2-Hydroxyethyl)-1H-indol-5-yl]but-3-en-
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    Mol. Formula:
    C14H15NO2

    M.W.:
    229.28

    Type:
    Small molecule

    AlogP:
    2.30

    Polar Surface Area:
    53.09

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  5. ALA3109319

    Name:
    Nystatin dihydrate

    Mol. Formula:
    C47H77NO18

    M.W.:
    944.12

    Type:
    Small molecule

    AlogP:
    0.94

    Polar Surface Area:
    319.61

    HBA:
    17

    HBD:
    12

    #RO5 Violations:
    3

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  6. ALA222470

    Name:
    N,N-dimethyl-5-(methylthio)varacin

    Mol. Formula:
    C13H19NO2S6

    M.W.:
    413.70

    Type:
    Small molecule

    AlogP:
    5.59

    Polar Surface Area:
    21.70

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  7. ALA222469

    Name:
    3,4-dimethoxy-6-(2'-N,N-dimethylaminoethyl)-5-(met
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    Mol. Formula:
    C13H19NO2S4

    M.W.:
    349.57

    Type:
    Small molecule

    AlogP:
    4.29

    Polar Surface Area:
    21.70

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  8. ALA375614

    Name:
    lissoclinotoxin F

    Mol. Formula:
    C26H38N2O4S5

    M.W.:
    602.94

    Type:
    Small molecule

    AlogP:
    6.99

    Polar Surface Area:
    43.40

    HBA:
    11

    HBD:
    ---

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  9. ALA223012

    Name:
    lissoclibadin 2

    Mol. Formula:
    C26H38N2O4S5

    M.W.:
    602.94

    Type:
    Small molecule

    AlogP:
    6.99

    Polar Surface Area:
    43.40

    HBA:
    11

    HBD:
    ---

    #RO5 Violations:
    3

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  10. ALA220033

    Name:
    lissoclibadin 4

    Mol. Formula:
    C22H30N2O4S3

    M.W.:
    482.69

    Type:
    Small molecule

    AlogP:
    4.94

    Polar Surface Area:
    65.40

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
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