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  1. ALA5206705

    Name:
    5-amino-1-(2,4-difluorophenyl)-6-phenyl-3-(pyridin-2-yl)-1H-pyrazolo[4,3-g]Show More

    Mol. Formula:
    C27H15F2N5O2

    M.W.:
    479.45

    Type:
    ---

    AlogP:
    4.63

    Polar Surface Area:
    103.76

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  2. ALA4450495

    Name:
    2-((E)-2-((E)-2-(4-(4-(6-amino-5-((R)-1-(2,6-dichloro-3-fluorophenyl)ethoxyShow More

    Mol. Formula:
    C53H57Cl2FIN7O

    M.W.:
    1024.89

    Type:
    Unknown

    AlogP:
    12.69

    Polar Surface Area:
    75.45

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  3. trans-1-Cinnamylpiperazine

    Name:
    trans-1-cinnamylpiperazine

    Mol. Formula:
    C13H18N2

    M.W.:
    202.30

    Type:
    Small molecule

    AlogP:
    1.60

    Polar Surface Area:
    15.27

    HBA:
    2

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.80

    DETAILS
  4. ALA500865

    Name:
    17beta-[1-Methyl-3-(1N-(4N-cinnamyl)piperazin-1-yl)carboxypropyl]etiocholanShow More

    Mol. Formula:
    C37H56N2O3

    M.W.:
    576.87

    Type:
    Small molecule

    AlogP:
    6.25

    Polar Surface Area:
    64.01

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  5. ALA117275

    Name:
    17beta-[1-Methyl-3-(1N-(4N-cinnamyl)piperazin-1-yl)carboxypropyl]etiocholanShow More

    Mol. Formula:
    C37H56N2O2

    M.W.:
    560.87

    Type:
    Small molecule

    AlogP:
    7.28

    Polar Surface Area:
    43.78

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  6. ALA506973

    Name:
    17beta-[1-Methyl-3-(1N-(4N-(pyrimidyl-2-yl))piperazin-1-yl)carboxypropyl]etShow More

    Mol. Formula:
    C32H50N4O3

    M.W.:
    538.78

    Type:
    Small molecule

    AlogP:
    4.53

    Polar Surface Area:
    89.79

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  7. ALA446643

    Name:
    17beta-[1-Methyl-3-(1N-(4N-(pyrimidyl-2-yl))piperazin-1-yl)carboxypropyl]etShow More

    Mol. Formula:
    C32H50N4O2

    M.W.:
    522.78

    Type:
    Small molecule

    AlogP:
    5.56

    Polar Surface Area:
    69.56

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  8. ALA507439

    Name:
    17beta-[1-Methyl-3-(1N-(4N-(pyridin-2-yl))piperazin-1-yl)-carboxypropyl]etiShow More

    Mol. Formula:
    C33H51N3O3

    M.W.:
    537.79

    Type:
    Small molecule

    AlogP:
    5.14

    Polar Surface Area:
    76.90

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  9. ALA444704

    Name:
    17beta-[1-Methyl-3-(1N-(4N-(pyridin-2-yl))piperazin-1-yl)-carboxypropyl]etiShow More

    Mol. Formula:
    C33H51N3O2

    M.W.:
    521.79

    Type:
    Small molecule

    AlogP:
    6.17

    Polar Surface Area:
    56.67

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
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