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  1. ALA5272331

    Name:
    Fuconazole

    Mol. Formula:
    C13H13FN6O

    M.W.:
    288.29

    Type:
    ---

    AlogP:
    0.60

    Polar Surface Area:
    81.65

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  2. ALA5270956

    Name:
    [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-Show More

    Mol. Formula:
    C16H16N2O9

    M.W.:
    380.31

    Type:
    ---

    AlogP:
    -1.58

    Polar Surface Area:
    171.31

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  3. ALA5269784

    Name:
    7-amino-6-cyano-2-((4-methoxyphenyl)amino)-5-phenylpyrazolo[1,5-a]pyrimidinShow More

    Mol. Formula:
    C21H17N7O2

    M.W.:
    399.41

    Type:
    ---

    AlogP:
    2.70

    Polar Surface Area:
    144.35

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  4. ALA5277357

    Name:
    2-[5-(2,4-dichlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-Show More

    Mol. Formula:
    C22H15Cl2N3S2

    M.W.:
    456.42

    Type:
    ---

    AlogP:
    7.53

    Polar Surface Area:
    28.49

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  5. ALA5274221

    Name:
    Sclerodermin B

    Mol. Formula:
    C47H62N8O14

    M.W.:
    963.05

    Type:
    ---

    AlogP:
    -1.40

    Polar Surface Area:
    338.15

    HBA:
    13

    HBD:
    12

    #RO5 Violations:
    3

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  6. ALA5291255

    Name:
    [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-Show More

    Mol. Formula:
    C16H16N2O8

    M.W.:
    364.31

    Type:
    ---

    AlogP:
    -1.28

    Polar Surface Area:
    151.08

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  7. ALA5290576

    Name:
    [(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-Show More

    Mol. Formula:
    C16H17N3O8

    M.W.:
    379.33

    Type:
    ---

    AlogP:
    -1.70

    Polar Surface Area:
    177.10

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  8. ALA5290045

    Name:
    Sclerodermin A

    Mol. Formula:
    C47H62N8O15

    M.W.:
    979.05

    Type:
    ---

    AlogP:
    -2.43

    Polar Surface Area:
    358.38

    HBA:
    14

    HBD:
    13

    #RO5 Violations:
    3

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  9. ALA5206475

    Name:
    (E)-2-methoxy-4-(prop-1-en-1-yl)-1-(prop-2-yn-1-yloxy)benzene

    Mol. Formula:
    C13H14O2

    M.W.:
    202.25

    Type:
    ---

    AlogP:
    2.74

    Polar Surface Area:
    18.46

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  10. ALA5206404

    Name:
    5-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)Show More

    Mol. Formula:
    C23H20F2N6O3S

    M.W.:
    498.52

    Type:
    ---

    AlogP:
    3.02

    Polar Surface Area:
    106.26

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  11. ALA5204293

    Name:
    (S)-1-(4-((tert-butyldimethylsilyl)oxy)-3-methoxyphenyl)-3-(4-((2-methoxy-4Show More

    Mol. Formula:
    C29H43N3O5Si

    M.W.:
    541.77

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA5201924

    Name:
    3-[[4-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1Show More

    Mol. Formula:
    C26H27F2N7O

    M.W.:
    491.55

    Type:
    ---

    AlogP:
    3.00

    Polar Surface Area:
    97.00

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  13. ALA5200530

    Name:
    4-allyl-2-methoxy-1-(prop-2-yn-1-yloxy)benzene

    Mol. Formula:
    C13H14O2

    M.W.:
    202.25

    Type:
    ---

    AlogP:
    2.44

    Polar Surface Area:
    18.46

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  14. ALA5199038

    Name:
    (2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(((2R,3R,4S,5R,6R)-4,5-diacetoxy-2-(acShow More

    Mol. Formula:
    C39H49N3O19

    M.W.:
    863.82

    Type:
    ---

    AlogP:
    1.39

    Polar Surface Area:
    260.96

    HBA:
    22

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.12

    DETAILS
  15. ALA5198817

    Name:
    (S)-1-(4-((4-allyl-2-methoxyphenoxy)methyl)-1H-1,2,3-triazol-1-yl)-3-(4-((tShow More

    Mol. Formula:
    C29H41N3O5Si

    M.W.:
    539.75

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA5198729

    Name:
    (2R,3R,4S,5S,6R)-2-(4-((4-allyl-2-methoxyphenoxy)methyl)-1H-1,2,3-triazol-1Show More

    Mol. Formula:
    C19H25N3O7

    M.W.:
    407.42

    Type:
    ---

    AlogP:
    -0.43

    Polar Surface Area:
    139.32

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  17. ALA5197213

    Name:
    (2R,3R,4S,5R,6R)-2-(acetoxymethyl)-6-(4-((2-methoxy-4-propylphenoxy)methyl)Show More

    Mol. Formula:
    C27H35N3O11

    M.W.:
    577.59

    Type:
    ---

    AlogP:
    2.07

    Polar Surface Area:
    163.60

    HBA:
    14

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  18. ALA5196344

    Name:
    5-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)Show More

    Mol. Formula:
    C21H17F2N7O2S

    M.W.:
    469.48

    Type:
    ---

    AlogP:
    2.40

    Polar Surface Area:
    109.92

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  19. ALA5194034

    Name:
    4-[4-[4-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazolShow More

    Mol. Formula:
    C32H31F5N8O3

    M.W.:
    670.64

    Type:
    ---

    AlogP:
    3.95

    Polar Surface Area:
    106.47

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  20. ALA5193126

    Name:
    (4-allyl-2-methoxyphenoxy)(tert-butyl)dimethylsilane

    Mol. Formula:
    C16H26O2Si

    M.W.:
    278.47

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
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