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  1. ALA4878683

    Name:
    Diethyl (4,9-dioxo-2-(3,4,5-trimethoxyphenyl)-4,9-
    Show More

    Mol. Formula:
    C24H24NO9P

    M.W.:
    501.43

    Type:
    Unknown

    AlogP:
    4.03

    Polar Surface Area:
    123.39

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  2. ALA4878354

    Name:
    Diethyl (4,9-dioxo-2-(3,4,5-trimethoxyphenyl)-4,9-
    Show More

    Mol. Formula:
    C24H24NO9P

    M.W.:
    501.43

    Type:
    Unknown

    AlogP:
    4.03

    Polar Surface Area:
    123.39

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  3. ALA4875287

    Name:
    Diethyl (2-(4-nitrophenyl)-4,9-dioxo-4,9-dihydrofu
    Show More

    Mol. Formula:
    C21H17N2O8P

    M.W.:
    456.35

    Type:
    Unknown

    AlogP:
    3.92

    Polar Surface Area:
    138.84

    HBA:
    9

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  4. ALA4874926

    Name:
    Diethyl (2-(2-chlorophenyl)-4,9-dioxo-4,9-dihydrof
    Show More

    Mol. Formula:
    C21H17ClNO6P

    M.W.:
    445.80

    Type:
    Unknown

    AlogP:
    4.66

    Polar Surface Area:
    95.70

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  5. ALA4874138

    Name:
    Diethyl (2-(2-chlorophenyl)-4,9-dioxo-4,9-dihydrof
    Show More

    Mol. Formula:
    C21H17ClNO6P

    M.W.:
    445.80

    Type:
    Unknown

    AlogP:
    4.66

    Polar Surface Area:
    95.70

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  6. ALA4873161

    Name:
    Diethyl (2-(4-fluorophenyl)-4,9-dioxo-4,9-dihydrof
    Show More

    Mol. Formula:
    C21H17FNO6P

    M.W.:
    429.34

    Type:
    Unknown

    AlogP:
    4.15

    Polar Surface Area:
    95.70

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  7. ALA4870352

    Name:
    Taccachatrone D

    Mol. Formula:
    C29H40O9

    M.W.:
    532.63

    Type:
    Unknown

    AlogP:
    1.65

    Polar Surface Area:
    135.19

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  8. ALA4870171

    Name:
    N-(3-((1-(3,4-Dimethoxybenzyl)-1H-imidazo[4,5-c]py
    Show More

    Mol. Formula:
    C23H23N5O3

    M.W.:
    417.47

    Type:
    Unknown

    AlogP:
    4.20

    Polar Surface Area:
    90.30

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  9. ALA4868803

    Name:
    Taccalonolide AW

    Mol. Formula:
    C35H46O14

    M.W.:
    690.74

    Type:
    Unknown

    AlogP:
    0.90

    Polar Surface Area:
    201.56

    HBA:
    14

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  10. ALA5287706

    Name:
    (1S,4aR,6R,6aR,9S,11aS,11bR,12R)-6,12-dihydroxy-4,
    Show More

    Mol. Formula:
    C23H34O5

    M.W.:
    390.52

    Type:
    ---

    AlogP:
    3.03

    Polar Surface Area:
    83.83

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  11. ALA5287361

    Name:
    1-(1-([1,1'-biphenyl]-4-carbonyl)piperidin-4-yl)-N
    Show More

    Mol. Formula:
    C21H21N5O3

    M.W.:
    391.43

    Type:
    ---

    AlogP:
    2.54

    Polar Surface Area:
    100.35

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  12. ALA5287273

    Name:
    Isorhizochalin

    Mol. Formula:
    C34H68N2O8

    M.W.:
    632.92

    Type:
    ---

    AlogP:
    3.99

    Polar Surface Area:
    188.72

    HBA:
    10

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    28

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  13. ALA5287133

    Name:
    (-)-herbertene-1,2-diol

    Mol. Formula:
    C15H22O2

    M.W.:
    234.34

    Type:
    ---

    AlogP:
    3.87

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  14. ALA5286857

    Name:
    Pegaharmaline B

    Mol. Formula:
    C24H18N4O2

    M.W.:
    394.43

    Type:
    ---

    AlogP:
    4.38

    Polar Surface Area:
    72.80

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  15. ALA5286648

    Name:
    2-((9,10-dihydroacridin-9-yl)methylene)-3-(dipheny
    Show More

    Mol. Formula:
    C29H23N3OS

    M.W.:
    461.59

    Type:
    ---

    AlogP:
    7.05

    Polar Surface Area:
    35.58

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  16. ALA5286621

    Name:
    N-hydroxy-3-(4-(N-(2-(trifluoromethyl)phenyl)sulfa
    Show More

    Mol. Formula:
    C16H13F3N2O4S

    M.W.:
    386.35

    Type:
    ---

    AlogP:
    3.02

    Polar Surface Area:
    95.50

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  17. ALA5286617

    Name:
    2-(3-chloropropyl)-6-nitro-1H-benzo[de]isoquinolin
    Show More

    Mol. Formula:
    C15H11ClN2O4

    M.W.:
    318.72

    Type:
    ---

    AlogP:
    2.97

    Polar Surface Area:
    80.52

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  18. ALA5286538

    Name:
    (1S,4aR,6R,6aR,9S,11aS,11bR,12R)-6,12-dihydroxy-4,
    Show More

    Mol. Formula:
    C22H32O5

    M.W.:
    376.49

    Type:
    ---

    AlogP:
    2.64

    Polar Surface Area:
    83.83

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  19. ALA5286527

    Name:
    Peganumine A

    Mol. Formula:
    C28H32N4O3

    M.W.:
    472.59

    Type:
    ---

    AlogP:
    3.59

    Polar Surface Area:
    66.07

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  20. ALA5286434

    Name:
    7-chloro-3-(phenylamino)benzo[e][1,2,4]triazine 1,
    Show More

    Mol. Formula:
    C13H9ClN4O2

    M.W.:
    288.69

    Type:
    ---

    AlogP:
    1.90

    Polar Surface Area:
    78.80

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
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