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  1. ALA4090675

    Name:
    (E)-2-ethyl-3-(4-(3-(4-isopropylpiperazin-1-yl)pro
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    Mol. Formula:
    C25H33N5

    M.W.:
    403.57

    Type:
    Small molecule

    AlogP:
    4.08

    Polar Surface Area:
    37.19

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  2. ALA4088230

    Name:
    (E)-N-(4-(3-(4-isopropylpiperazin-1-yl)prop-1-en-1
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    Mol. Formula:
    C28H43N5

    M.W.:
    449.69

    Type:
    Small molecule

    AlogP:
    5.19

    Polar Surface Area:
    35.50

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  3. ALA4080377

    Name:
    5-(dimethylamino)-N-(4-(((2,6-dimethylpyrimidin-4-
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    Mol. Formula:
    C25H39N5O

    M.W.:
    425.62

    Type:
    Small molecule

    AlogP:
    4.82

    Polar Surface Area:
    61.36

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  4. ALA4095465

    Name:
    (E)-2-isobutyl-3-(4-(3-(4-isopropylpiperazin-1-yl)
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    Mol. Formula:
    C29H41N5

    M.W.:
    459.68

    Type:
    Small molecule

    AlogP:
    5.33

    Polar Surface Area:
    37.19

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  5. ALA4072373

    Name:
    (E)-2-isopropyl-3-(4-(3-(4-isopropylpiperazin-1-yl
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    Mol. Formula:
    C28H39N5

    M.W.:
    445.66

    Type:
    Small molecule

    AlogP:
    5.26

    Polar Surface Area:
    37.19

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  6. ALA4069664

    Name:
    (E)-6-ethyl-7-(4-(3-(4-isopropylpiperazin-1-yl)pro
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    Mol. Formula:
    C27H37N5

    M.W.:
    431.63

    Type:
    Small molecule

    AlogP:
    4.70

    Polar Surface Area:
    37.19

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  7. ALA4063894

    Name:
    (E)-3-(4-(3-(4-isopropylpiperazin-1-yl)prop-1-en-1
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    Mol. Formula:
    C28H39N5

    M.W.:
    445.66

    Type:
    Small molecule

    AlogP:
    5.09

    Polar Surface Area:
    37.19

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  8. ALA4060989

    Name:
    (E)-3-(4-(3-(4-isopropylpiperazin-1-yl)prop-1-en-1
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    Mol. Formula:
    C26H35N5

    M.W.:
    417.60

    Type:
    Small molecule

    AlogP:
    4.44

    Polar Surface Area:
    37.19

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
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