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  1. ALA4513851

    Name:
    4-(2-(4-(4-fluorobenzyl)piperazin-1-yl)ethyl)-2-me
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    Mol. Formula:
    C22H25FN4S

    M.W.:
    396.54

    Type:
    Unknown

    AlogP:
    4.01

    Polar Surface Area:
    32.26

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  2. ALA4483738

    Name:
    (E)-2-(2-(1H-indol-3-yl)vinyl)-1-methyl-4-(piperid
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    Mol. Formula:
    C25H26IN3

    M.W.:
    495.41

    Type:
    Unknown

    AlogP:
    5.31

    Polar Surface Area:
    22.91

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  3. ALA4476798

    Name:
    (S)-N-((3-(4-(4-(2-bromophenylamino)piperidin-1-yl
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    Mol. Formula:
    C23H26BrFN4O3

    M.W.:
    505.39

    Type:
    Unknown

    AlogP:
    4.13

    Polar Surface Area:
    73.91

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  4. ALA4474315

    Name:
    (S)-N-((3-(3-fluoro-4-(4-(4-isopropylphenylamino)p
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    Mol. Formula:
    C26H33FN4O3

    M.W.:
    468.57

    Type:
    Unknown

    AlogP:
    4.49

    Polar Surface Area:
    73.91

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  5. ALA4474184

    Name:
    N-((2R,4R)-2-((R)-((2S,3R,4S,5R)-5-(aminomethyl)-3
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    Mol. Formula:
    C21H33N5O10

    M.W.:
    515.52

    Type:
    Unknown

    AlogP:
    -4.80

    Polar Surface Area:
    230.62

    HBA:
    13

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  6. ALA4539344

    Name:
    (S,E)-N-((3-(2-fluoro-4'-(3-morpholino-3-oxoprop-1
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    Mol. Formula:
    C25H26FN3O5

    M.W.:
    467.50

    Type:
    Unknown

    AlogP:
    2.83

    Polar Surface Area:
    88.18

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  7. ALA4538782

    Name:
    (S)-N-((3-(2-fluoro-4'-(morpholine-4-carbonyl)-[1,
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    Mol. Formula:
    C23H24FN3O5

    M.W.:
    441.46

    Type:
    Unknown

    AlogP:
    2.43

    Polar Surface Area:
    88.18

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  8. ALA4537713

    Name:
    (S)-N-((3-(4-(4-(benzylamino)piperidin-1-yl)-3-flu
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    Mol. Formula:
    C24H29FN4O3

    M.W.:
    440.52

    Type:
    Unknown

    AlogP:
    3.05

    Polar Surface Area:
    73.91

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  9. ALA4536307

    Name:
    2,4-bis(4-bromophenyl)-6-(4-(piperidin-1-yl)styryl
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    Mol. Formula:
    C30H26BBr2F4NO

    M.W.:
    663.16

    Type:
    Unknown

    AlogP:
    9.58

    Polar Surface Area:
    14.54

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  10. ALA4524967

    Name:
    (S)-N-((3-(4-(4-((4-bromophenyl)(methyl)amino)pipe
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    Mol. Formula:
    C24H28BrFN4O3

    M.W.:
    519.42

    Type:
    Unknown

    AlogP:
    4.15

    Polar Surface Area:
    65.12

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  11. ALA4524065

    Name:
    mersacidin

    Mol. Formula:
    C80H120N20O21S4

    M.W.:
    1826.23

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA4531721

    Name:
    12',13'-E-14',15'-Dihydrobacillaene B

    Mol. Formula:
    C40H60N2O11

    M.W.:
    744.92

    Type:
    Unknown

    AlogP:
    3.28

    Polar Surface Area:
    215.11

    HBA:
    10

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    22

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  13. ALA4561349

    Name:
    (E)-2,4-bis(4-bromophenyl)-6-(4-(diethylamino)styr
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    Mol. Formula:
    C29H26BBr2F4NO

    M.W.:
    651.15

    Type:
    Unknown

    AlogP:
    9.44

    Polar Surface Area:
    14.54

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  14. ALA4560032

    Name:
    (E)-2-(2-(1H-indol-2-yl)vinyl)-1-methyl-4-((2-(pip
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    Mol. Formula:
    C27H31IN4

    M.W.:
    538.48

    Type:
    Unknown

    AlogP:
    5.21

    Polar Surface Area:
    34.94

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  15. ALA4556879

    Name:
    (S)-N-((3-(2-fluoro-4'-(pyrrolidine-1-carbonyl)-[1
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    Mol. Formula:
    C23H24FN3O4

    M.W.:
    425.46

    Type:
    Unknown

    AlogP:
    3.19

    Polar Surface Area:
    78.95

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  16. ALA4553174

    Name:
    (S)-N-((3-(3-fluoro-4-(4-(4-fluorophenylamino)pipe
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    Mol. Formula:
    C23H26F2N4O3

    M.W.:
    444.48

    Type:
    Unknown

    AlogP:
    3.51

    Polar Surface Area:
    73.91

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.71

    DETAILS
  17. ALA4518396

    Name:
    (S)-N-((3-(4-(4-(3-bromophenylamino)piperidin-1-yl
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    Mol. Formula:
    C23H26BrFN4O3

    M.W.:
    505.39

    Type:
    Unknown

    AlogP:
    4.13

    Polar Surface Area:
    73.91

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  18. ALA4518281

    Name:
    (2S,5S,6S)-2-[(S)-[(2S,3R,4S,5R)-5-(aminomethyl)-3
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    Mol. Formula:
    C38H65N5O12

    M.W.:
    783.96

    Type:
    Unknown

    AlogP:
    0.71

    Polar Surface Area:
    259.13

    HBA:
    14

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    23

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  19. ALA4515543

    Name:
    N-((2S,4S)-2-((S)-((2S,3R,4S,5R)-5-(aminomethyl)-3
    Show More

    Mol. Formula:
    C21H33N5O10

    M.W.:
    515.52

    Type:
    Unknown

    AlogP:
    -4.80

    Polar Surface Area:
    230.62

    HBA:
    13

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  20. ALA4547564

    Name:
    (E)-2-(2-(1H-indol-2-yl)vinyl)-1-methyl-4-(4-methy
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    Mol. Formula:
    C26H28IN3

    M.W.:
    509.44

    Type:
    Unknown

    AlogP:
    5.55

    Polar Surface Area:
    22.91

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
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