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  1. ALA4876663

    Name:
    (R)-4-(3-(4-fluoroisoindolin-2-yl)butyl)-2-methoxy
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    Mol. Formula:
    C19H22FNO2

    M.W.:
    315.39

    Type:
    Unknown

    AlogP:
    3.88

    Polar Surface Area:
    32.70

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.91

    DETAILS
  2. ALA4870888

    Name:
    methyl 2-(4-((1E,6E)-7-(4-hydroxy-3-methoxyphenyl)
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    Mol. Formula:
    C24H21F3O7

    M.W.:
    478.42

    Type:
    Unknown

    AlogP:
    4.23

    Polar Surface Area:
    99.13

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  3. ALA4869437

    Name:
    (S)-4-(3,4-dichlorophenyl)-N-(4-(trifluoromethyl)b
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    Mol. Formula:
    C18H18Cl2F3N

    M.W.:
    376.25

    Type:
    Unknown

    AlogP:
    6.12

    Polar Surface Area:
    12.03

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  4. ALA5285477

    Name:
    8-epi-malyngamide C

    Mol. Formula:
    C25H40ClNO5

    M.W.:
    470.05

    Type:
    ---

    AlogP:
    4.58

    Polar Surface Area:
    88.16

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  5. ALA5285116

    Name:
    2-(2-(4-sec-butoxy-2-(4-(carboxymethoxy)-2-(methox
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    Mol. Formula:
    C53H46N8O15

    M.W.:
    1034.99

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA5282893

    Name:
    5-(5-(6-(benzyloxy)-5-(6-isobutoxy-5-nitropicolina
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    Mol. Formula:
    C39H34N8O15

    M.W.:
    854.74

    Type:
    ---

    AlogP:
    4.17

    Polar Surface Area:
    330.82

    HBA:
    16

    HBD:
    6

    #RO5 Violations:
    3

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  7. ALA5282325

    Name:
    Malyngamide K

    Mol. Formula:
    C25H40ClNO3

    M.W.:
    438.05

    Type:
    ---

    AlogP:
    6.40

    Polar Surface Area:
    55.40

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  8. ALA5278674

    Name:
    Apratoxin A

    Mol. Formula:
    C45H69N5O8S

    M.W.:
    840.14

    Type:
    ---

    AlogP:
    5.28

    Polar Surface Area:
    158.15

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  9. ALA5278360

    Name:
    Jamaicamide C

    Mol. Formula:
    C27H39ClN2O4

    M.W.:
    491.07

    Type:
    ---

    AlogP:
    5.57

    Polar Surface Area:
    75.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  10. ALA4867297

    Name:
    4-(3-(4-fluoroisoindolin-2-yl)-3-methylbutyl)-2-is
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    Mol. Formula:
    C22H28FNO2

    M.W.:
    357.47

    Type:
    Unknown

    AlogP:
    5.05

    Polar Surface Area:
    32.70

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  11. ALA4865307

    Name:
    2-methoxy-4-(3-(4-(trifluoromethyl)benzylamino)but
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    Mol. Formula:
    C19H22F3NO2

    M.W.:
    353.38

    Type:
    Unknown

    AlogP:
    4.53

    Polar Surface Area:
    41.49

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  12. ALA4863873

    Name:
    (R)-4-(4-chlorophenyl)-N-(4-(trifluoromethyl)benzy
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    Mol. Formula:
    C18H19ClF3N

    M.W.:
    341.80

    Type:
    Unknown

    AlogP:
    5.47

    Polar Surface Area:
    12.03

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  13. ALA5289416

    Name:
    6-0-acetylmalyngamide F

    Mol. Formula:
    C27H42ClNO5

    M.W.:
    496.09

    Type:
    ---

    AlogP:
    5.94

    Polar Surface Area:
    81.70

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  14. ALA4861528

    Name:
    tert-butyl 2-(4-((1E,6E)-7-(4-hydroxy-3-methoxyphe
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    Mol. Formula:
    C27H27F3O7

    M.W.:
    520.50

    Type:
    Unknown

    AlogP:
    5.40

    Polar Surface Area:
    99.13

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  15. ALA4848550

    Name:
    (R)-4-(3,4-dichlorophenyl)-N-(4-(trifluoromethyl)b
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    Mol. Formula:
    C18H18Cl2F3N

    M.W.:
    376.25

    Type:
    Unknown

    AlogP:
    6.12

    Polar Surface Area:
    12.03

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  16. Type:
    Unknown

    AlogP:
    4.70

    Polar Surface Area:
    66.84

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  17. ALA4757042

    Name:
    Trichophycin C

    Mol. Formula:
    C22H32Cl2O2

    M.W.:
    399.40

    Type:
    Unknown

    AlogP:
    6.05

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  18. ALA4756843

    Name:
    (2R,3R,4S,5R,6S)-2-(acetoxymethyl)-6-(5,8-dihydrox
    Show More

    Mol. Formula:
    C27H30O14S

    M.W.:
    610.59

    Type:
    Unknown

    AlogP:
    1.77

    Polar Surface Area:
    198.26

    HBA:
    15

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  19. ALA4756001

    Name:
    (2S,3R,4R,4aS,12aR)-3,4,7,10-tetrahydroxy-2-(hydro
    Show More

    Mol. Formula:
    C18H18O9S

    M.W.:
    410.40

    Type:
    Unknown

    AlogP:
    -0.12

    Polar Surface Area:
    153.75

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  20. ALA5275834

    Name:
    8-O-acetyl-8-epi-malyngamide C

    Mol. Formula:
    C27H42ClNO6

    M.W.:
    512.09

    Type:
    ---

    AlogP:
    5.15

    Polar Surface Area:
    94.23

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
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