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  1. ALA4521265

    Name:
    N-((1r,4r)-4-(4-(3-(dimethylamino)propoxy)phenyl)c
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    Mol. Formula:
    C32H40N2O4

    M.W.:
    516.68

    Type:
    Unknown

    AlogP:
    6.16

    Polar Surface Area:
    60.03

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  2. ALA4555272

    Name:
    Coumermycin A1

    Cas Number:
    4434-05-3

    Mol. Formula:
    C55H59N5O20

    M.W.:
    1110.09

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA4528553

    Name:
    Yangpumicin A

    Mol. Formula:
    C26H17NO7

    M.W.:
    455.42

    Type:
    Unknown

    AlogP:
    0.95

    Polar Surface Area:
    139.62

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  4. ALA4548471

    Name:
    NA

    Mol. Formula:
    C35H33ClFN9O

    M.W.:
    650.16

    Type:
    Unknown

    AlogP:
    6.47

    Polar Surface Area:
    105.91

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  5. ALA4776084

    Name:
    (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-
    Show More

    Mol. Formula:
    C35H52N4O8

    M.W.:
    656.82

    Type:
    Unknown

    AlogP:
    2.84

    Polar Surface Area:
    169.52

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  6. ALA4778032

    Name:
    (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-((1-benzylpip
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    Mol. Formula:
    C40H54N4O8

    M.W.:
    718.89

    Type:
    Unknown

    AlogP:
    4.02

    Polar Surface Area:
    169.52

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  7. ALA4777808

    Name:
    (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-(((but-3-yn-1
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    Mol. Formula:
    C37H52N4O8

    M.W.:
    680.84

    Type:
    Unknown

    AlogP:
    2.84

    Polar Surface Area:
    169.52

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  8. ALA4777512

    Name:
    (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-((3-(N,N-diis
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    Mol. Formula:
    C42H60N4O10S

    M.W.:
    813.03

    Type:
    Unknown

    AlogP:
    4.50

    Polar Surface Area:
    203.66

    HBA:
    11

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  9. ALA4777420

    Name:
    (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-
    Show More

    Mol. Formula:
    C36H48N4O10S

    M.W.:
    728.86

    Type:
    Unknown

    AlogP:
    2.34

    Polar Surface Area:
    226.44

    HBA:
    11

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  10. ALA4777034

    Name:
    (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-19-((
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    Mol. Formula:
    C34H51N3O9

    M.W.:
    645.79

    Type:
    Unknown

    AlogP:
    2.90

    Polar Surface Area:
    186.51

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  11. ALA4776995

    Name:
    (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-
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    Mol. Formula:
    C35H53N3O11

    M.W.:
    691.82

    Type:
    Unknown

    AlogP:
    2.03

    Polar Surface Area:
    193.97

    HBA:
    12

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  12. ALA4776893

    Name:
    (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-(((1,4,7,10,1
    Show More

    Mol. Formula:
    C39H59N3O13

    M.W.:
    777.91

    Type:
    Unknown

    AlogP:
    1.82

    Polar Surface Area:
    212.43

    HBA:
    14

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  13. ALA4784511

    Name:
    (2E,4Z,6S,7S,8E,10S.11R,12S,14R)-1-amino-15-(2,5-b
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    Mol. Formula:
    C36H58N4O10

    M.W.:
    706.88

    Type:
    Unknown

    AlogP:
    1.84

    Polar Surface Area:
    232.76

    HBA:
    12

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    25

    Passes Ro3:
    N

    QED Weighted:
    0.02

    DETAILS
  14. ALA4796409

    Name:
    Ethyl 4-(((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-9-(car
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    Mol. Formula:
    C36H52N4O10

    M.W.:
    700.83

    Type:
    Unknown

    AlogP:
    2.97

    Polar Surface Area:
    195.82

    HBA:
    11

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  15. ALA4795779

    Name:
    (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-((1-acetylpip
    Show More

    Mol. Formula:
    C35H50N4O9

    M.W.:
    670.80

    Type:
    Unknown

    AlogP:
    2.36

    Polar Surface Area:
    186.59

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  16. ALA4795680

    Name:
    (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-((2-fluoroben
    Show More

    Mol. Formula:
    C35H44FN3O8

    M.W.:
    653.75

    Type:
    Unknown

    AlogP:
    3.69

    Polar Surface Area:
    166.28

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  17. ALA4794792

    Name:
    (2E,4Z,6S,7S,8E,10S,11R,12S,14R)-1-amino-15-(3,6-d
    Show More

    Mol. Formula:
    C42H68N6O8

    M.W.:
    785.04

    Type:
    Unknown

    AlogP:
    3.27

    Polar Surface Area:
    198.78

    HBA:
    12

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    25

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  18. ALA4794663

    Name:
    4-(((4E,6Z,8S,9S,10E,12S,13R,14S,16R)-19-(carbamoy
    Show More

    Mol. Formula:
    C36H51N3O10

    M.W.:
    685.81

    Type:
    Unknown

    AlogP:
    3.24

    Polar Surface Area:
    203.58

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  19. ALA4794622

    Name:
    (S)-ethyl 2-amino-6-(((4E,6Z,8S,9S,10E,12S,13R,14S
    Show More

    Mol. Formula:
    C36H54N4O10

    M.W.:
    702.85

    Type:
    Unknown

    AlogP:
    2.41

    Polar Surface Area:
    218.60

    HBA:
    12

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  20. ALA4794124

    Name:
    (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-19-((
    Show More

    Mol. Formula:
    C34H49N3O9

    M.W.:
    643.78

    Type:
    Unknown

    AlogP:
    2.66

    Polar Surface Area:
    186.51

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
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