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  1. ALA4520242

    Name:
    Guignardone S

    Mol. Formula:
    C17H24O4

    M.W.:
    292.37

    Type:
    Unknown

    AlogP:
    2.51

    Polar Surface Area:
    55.76

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  2. ALA4529383

    Name:
    N-(3-(3-(3-chloro-5-methoxyphenyl)-4-(pyridin-4-yl
    Show More

    Mol. Formula:
    C33H27ClF3N5O3

    M.W.:
    634.06

    Type:
    Unknown

    AlogP:
    7.37

    Polar Surface Area:
    81.51

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  3. ALA4740510

    Name:
    sodium (E/Z)-2-(4-(4,8-dimethylnona-3,7-dienyl)-1H
    Show More

    Mol. Formula:
    C15H23N3Na4O7P2

    M.W.:
    511.27

    Type:
    Unknown

    AlogP:
    1.90

    Polar Surface Area:
    166.00

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  4. ALA4580462

    Name:
    Guignardone Q

    Mol. Formula:
    C17H22O4

    M.W.:
    290.36

    Type:
    Unknown

    AlogP:
    2.27

    Polar Surface Area:
    55.76

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  5. ALA4582669

    Name:
    (E)-N-(4-amino-2-(methylthio)-6-oxo-1,6-dihydropyr
    Show More

    Mol. Formula:
    C21H19ClN4O5S2

    M.W.:
    506.99

    Type:
    Unknown

    AlogP:
    3.43

    Polar Surface Area:
    144.24

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  6. ALA4783328

    Name:
    3,3'-azadimethylenedinaphthospiropyran

    Mol. Formula:
    C27H19NO2

    M.W.:
    389.45

    Type:
    Unknown

    AlogP:
    5.54

    Polar Surface Area:
    30.49

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  7. ALA4792731

    Name:
    N-(4-(6,7-dimethoxy-2-methylquinolin-3-yloxy)pheny
    Show More

    Mol. Formula:
    C27H20F6N2O4

    M.W.:
    550.46

    Type:
    Unknown

    AlogP:
    7.64

    Polar Surface Area:
    69.68

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  8. ALA4861295

    Name:
    2-(2,4-dimethoxyphenyl)-3,7-dihydroxy-8-((pyridin-
    Show More

    Mol. Formula:
    C24H22N2O6

    M.W.:
    434.45

    Type:
    Unknown

    AlogP:
    3.57

    Polar Surface Area:
    114.05

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  9. ALA4860014

    Name:
    2-(2,4-dimethoxyphenyl)-3,7-dihydroxy-8-(morpholin
    Show More

    Mol. Formula:
    C22H23NO7

    M.W.:
    413.43

    Type:
    Unknown

    AlogP:
    2.72

    Polar Surface Area:
    101.60

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  10. ALA4859862

    Name:
    4-O-acetyl-4-epi-withanolide D

    Mol. Formula:
    C30H40O7

    M.W.:
    512.64

    Type:
    Unknown

    AlogP:
    4.07

    Polar Surface Area:
    102.43

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.45

    DETAILS
  11. ALA4859240

    Name:
    9-(3,4-dichlorobenzylamino)-2-(2,4-dimethoxyphenyl
    Show More

    Mol. Formula:
    C26H22Cl2N2O6

    M.W.:
    529.38

    Type:
    Unknown

    AlogP:
    5.35

    Polar Surface Area:
    93.40

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  12. ALA4857894

    Name:
    2-(2,3-dichlorophenyl)-3-hydroxy-9-(1-methylpiperi
    Show More

    Mol. Formula:
    C23H22Cl2N2O4

    M.W.:
    461.35

    Type:
    Unknown

    AlogP:
    4.72

    Polar Surface Area:
    66.15

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  13. ALA4857813

    Name:
    27-O-acetyl-4-epi-withaferin A

    Mol. Formula:
    C31H42O7

    M.W.:
    526.67

    Type:
    Unknown

    AlogP:
    4.17

    Polar Surface Area:
    102.43

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  14. ALA4856517

    Name:
    2-(3,4-dichlorophenyl)-3-hydroxy-9-(pyridin-4-ylme
    Show More

    Mol. Formula:
    C23H16Cl2N2O4

    M.W.:
    455.30

    Type:
    Unknown

    AlogP:
    5.22

    Polar Surface Area:
    75.80

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  15. ALA4879369

    Name:
    2-(2,3-dichlorophenyl)-8-((diethylamino)methyl)-3,
    Show More

    Mol. Formula:
    C20H19Cl2NO4

    M.W.:
    408.28

    Type:
    Unknown

    AlogP:
    5.02

    Polar Surface Area:
    73.91

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  16. ALA4879180

    Name:
    2-(2,4-dimethoxyphenyl)-3-hydroxy-9-(1-methylpiper
    Show More

    Mol. Formula:
    C25H28N2O6

    M.W.:
    452.51

    Type:
    Unknown

    AlogP:
    3.43

    Polar Surface Area:
    84.61

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.64

    DETAILS
  17. ALA4878528

    Name:
    2-(3,4-dichlorophenyl)-3-hydroxy-9-((tetrahydro-2H
    Show More

    Mol. Formula:
    C23H21Cl2NO5

    M.W.:
    462.33

    Type:
    Unknown

    AlogP:
    5.05

    Polar Surface Area:
    72.14

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  18. ALA4877755

    Name:
    2-(2,3-dichlorophenyl)-3,7-dihydroxy-8-(morpholino
    Show More

    Mol. Formula:
    C20H17Cl2NO5

    M.W.:
    422.26

    Type:
    Unknown

    AlogP:
    4.01

    Polar Surface Area:
    83.14

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  19. ALA4874187

    Name:
    2-(2,3-dichlorophenyl)-3,7-dihydroxy-8-(pyrrolidin
    Show More

    Mol. Formula:
    C20H17Cl2NO4

    M.W.:
    406.27

    Type:
    Unknown

    AlogP:
    4.77

    Polar Surface Area:
    73.91

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.66

    DETAILS
  20. ALA4849546

    Name:
    4-epi-withanolide D

    Mol. Formula:
    C28H38O6

    M.W.:
    470.61

    Type:
    Unknown

    AlogP:
    3.50

    Polar Surface Area:
    96.36

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
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