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  1. ALA1672886

    Name:
    3-Benzo[1,3]dioxol-5-yl-4-{3-[2-(2-{2-[2-(4-fluoro
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    Mol. Formula:
    C38H42FN3O12

    M.W.:
    751.76

    Type:
    Small molecule

    AlogP:
    4.03

    Polar Surface Area:
    160.31

    HBA:
    15

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  2. ALA1672885

    Name:
    N-[1-(2-{2-[2-(2-{5-[4-Benzo[1,3]dioxol-5-yl-2-hyd
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    Mol. Formula:
    C44H47FN4O14S

    M.W.:
    906.94

    Type:
    Small molecule

    AlogP:
    4.18

    Polar Surface Area:
    206.48

    HBA:
    17

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    24

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  3. ALA1672884

    Name:
    N-[1-(2-{2-[2-(2-{5-[4-Benzo[1,3]dioxol-5-yl-2-hyd
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    Mol. Formula:
    C45H49FN4O14S

    M.W.:
    920.97

    Type:
    Small molecule

    AlogP:
    4.52

    Polar Surface Area:
    197.69

    HBA:
    17

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    24

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  4. ALA1672883

    Name:
    3-Benzo[1,3]dioxol-5-yl-4-[3-(2-{2-[2-(2-{4-[4-(2-
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    Mol. Formula:
    C46H51FN4O13

    M.W.:
    886.93

    Type:
    Small molecule

    AlogP:
    5.50

    Polar Surface Area:
    182.43

    HBA:
    17

    HBD:
    1

    #RO5 Violations:
    3

    #Rotatable Bonds:
    26

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  5. ALA1672882

    Name:
    3-Benzo[1,3]dioxol-5-yl-4-[3-(2-{2-[2-(2-{1-[2-(2-
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    Mol. Formula:
    C51H61FN4O17

    M.W.:
    1021.06

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA1672881

    Name:
    3-Benzo[1,3]dioxol-5-yl-4-{3-[1-(2-{2-[2-(2-fluoro
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    Mol. Formula:
    C38H42FN3O12

    M.W.:
    751.76

    Type:
    Small molecule

    AlogP:
    4.03

    Polar Surface Area:
    160.31

    HBA:
    15

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  7. ALA1672880

    Name:
    3-Benzo[1,3]dioxol-5-yl-4-{3-(2-(2-(2-(2-fluoroeth
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    Mol. Formula:
    C35H39FO12

    M.W.:
    670.68

    Type:
    Small molecule

    AlogP:
    4.24

    Polar Surface Area:
    129.60

    HBA:
    12

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  8. ALA611626

    Name:
    2-{4-[4-(Benzo[1,3]dioxol-5-yl)-2-hydroxy-5-oxo-3-
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    Mol. Formula:
    C36H34O12S

    M.W.:
    690.72

    Type:
    Small molecule

    AlogP:
    4.70

    Polar Surface Area:
    145.28

    HBA:
    12

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  9. ALA593928

    Name:
    2-(5-{[4-(Benzo[1,3]dioxol-5-yl)-2-hydroxy-2-(4-me
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    Mol. Formula:
    C36H34O12S

    M.W.:
    690.72

    Type:
    Small molecule

    AlogP:
    4.70

    Polar Surface Area:
    145.28

    HBA:
    12

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  10. ALA603635

    Name:
    3-Benzo[1,3]dioxol-5-yl-5-hydroxy-5-[4-(2-bromoeth
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    Mol. Formula:
    C29H27BrO9

    M.W.:
    599.43

    Type:
    Small molecule

    AlogP:
    4.61

    Polar Surface Area:
    101.91

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  11. ALA604286

    Name:
    3-Benzo[1,3]dioxol-5-yl-5-[4-(2-fluoroethoxy)pheny
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    Mol. Formula:
    C29H27FO9

    M.W.:
    538.52

    Type:
    Small molecule

    AlogP:
    4.19

    Polar Surface Area:
    101.91

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  12. ALA594265

    Name:
    3-Benzo[1,3]dioxol-5-yl-4-[3-(2-bromoethoxy)-4,5-d
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    Mol. Formula:
    C29H27BrO9

    M.W.:
    599.43

    Type:
    Small molecule

    AlogP:
    4.61

    Polar Surface Area:
    101.91

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  13. ALA594482

    Name:
    3-Benzo[1,3]dioxol-5-yl-4-[3-(2-fluoroethoxy)-4,5-
    Show More

    Mol. Formula:
    C29H27FO9

    M.W.:
    538.52

    Type:
    Small molecule

    AlogP:
    4.19

    Polar Surface Area:
    101.91

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  14. ALA147510

    Name:
    (S)-3-{(S)-2-[(R)-2-Acetylamino-3-(4-hydroxy-pheny
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    Mol. Formula:
    C43H60N8O11

    M.W.:
    865.00

    Type:
    Protein

    AlogP:
    0.98

    Polar Surface Area:
    311.24

    HBA:
    10

    HBD:
    11

    #RO5 Violations:
    2

    #Rotatable Bonds:
    25

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  15. ALA150719

    Name:
    (S)-3-{(S)-2-[(R)-2-Acetylamino-3-(1H-indol-3-yl)-
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    Mol. Formula:
    C45H61N9O10

    M.W.:
    888.04

    Type:
    Protein

    AlogP:
    1.75

    Polar Surface Area:
    306.80

    HBA:
    9

    HBD:
    11

    #RO5 Violations:
    2

    #Rotatable Bonds:
    25

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  16. ALA147058

    Name:
    (S)-3-[(S)-2-((R)-2-Acetylamino-3-phenyl-propionyl
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    Mol. Formula:
    C47H59N7O11

    M.W.:
    898.03

    Type:
    Protein

    AlogP:
    2.48

    Polar Surface Area:
    285.22

    HBA:
    9

    HBD:
    10

    #RO5 Violations:
    2

    #Rotatable Bonds:
    24

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  17. ALA359235

    Name:
    (S)-3-[(R)-2-((R)-2-Acetylamino-3-phenyl-propionyl
    Show More

    Mol. Formula:
    C47H59N7O10

    M.W.:
    882.03

    Type:
    Protein

    AlogP:
    2.78

    Polar Surface Area:
    264.99

    HBA:
    8

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    24

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  18. ALA444274

    Name:
    (S)-3-[(S)-2-((R)-2-Acetylamino-3-phenyl-propionyl
    Show More

    Mol. Formula:
    C47H60N8O10

    M.W.:
    897.04

    Type:
    Protein

    AlogP:
    1.86

    Polar Surface Area:
    291.01

    HBA:
    9

    HBD:
    10

    #RO5 Violations:
    2

    #Rotatable Bonds:
    26

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  19. ALA347948

    Name:
    (R)-3-{[(R)-1-((R)-2-Acetylamino-3-phenyl-propiony
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    Mol. Formula:
    C43H57N7O10

    M.W.:
    831.97

    Type:
    Protein

    AlogP:
    2.04

    Polar Surface Area:
    256.20

    HBA:
    8

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  20. ALA433893

    Name:
    (S)-3-[(S)-2-((R)-2-Acetylamino-3-phenyl-propionyl
    Show More

    Mol. Formula:
    C48H61N7O10

    M.W.:
    896.06

    Type:
    Protein

    AlogP:
    3.17

    Polar Surface Area:
    264.99

    HBA:
    8

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    25

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
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