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  1. ALA4514483

    Name:
    (6-(1,4'-bipiperidin-1'-yl)-3-methylpyrrolo[2,1-a]
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    Mol. Formula:
    C32H46N6O4

    M.W.:
    578.76

    Type:
    Unknown

    AlogP:
    5.52

    Polar Surface Area:
    100.44

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  2. ALA4514332

    Name:
    Methyl 3-cyclohexyl-6-methoxy-1H-indole-2-carboxyl
    Show More

    Mol. Formula:
    C17H21NO3

    M.W.:
    287.36

    Type:
    Unknown

    AlogP:
    4.01

    Polar Surface Area:
    51.32

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  3. ALA4514217

    Name:
    (1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR)-9-acetoxy-1
    Show More

    Mol. Formula:
    C41H55N3O5

    M.W.:
    669.91

    Type:
    Unknown

    AlogP:
    8.41

    Polar Surface Area:
    111.38

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  4. ALA4514214

    Name:
    (+/-)-8,9-diethoxy-2,3,4,7-tetrahydroxy-1,3,4,4a,5
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    Mol. Formula:
    C17H23NO7

    M.W.:
    353.37

    Type:
    Unknown

    AlogP:
    -0.13

    Polar Surface Area:
    128.48

    HBA:
    7

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.51

    DETAILS
  5. ALA4514128

    Name:
    4-((3-methoxyacridin-9-ylamino)methyl)-N-phenylben
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    Mol. Formula:
    C28H23N3O2

    M.W.:
    433.51

    Type:
    Unknown

    AlogP:
    6.26

    Polar Surface Area:
    63.25

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  6. ALA4513765

    Name:
    (6-methoxy-3-(4-(trifluoromethyl)phenyl)-1H-indole
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    Mol. Formula:
    C26H21F3N2O4

    M.W.:
    482.46

    Type:
    Unknown

    AlogP:
    5.29

    Polar Surface Area:
    91.42

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  7. ALA4513517

    Name:
    4-(3-Bromophenyl)-8-chloro-3,4-dihydro[1]benzothie
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    Mol. Formula:
    C16H11BrClN3S

    M.W.:
    392.71

    Type:
    Unknown

    AlogP:
    5.36

    Polar Surface Area:
    47.91

    HBA:
    2

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  8. ALA4476590

    Name:
    (1S,2R,4aS,6aS,6bR,8aR,13aR,13bR,15bS)-1,2,6a,6b,9
    Show More

    Mol. Formula:
    C35H52N2O3S

    M.W.:
    580.88

    Type:
    Unknown

    AlogP:
    7.74

    Polar Surface Area:
    62.66

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  9. ALA4476011

    Name:
    Methyl 2alpha-trans-cinnamoyloxy-3beta,6beta,23-tr
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    Mol. Formula:
    C40H56O7

    M.W.:
    648.88

    Type:
    Unknown

    AlogP:
    6.36

    Polar Surface Area:
    113.29

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  10. ALA4475803

    Name:
    5'-(3,5-Dichlorophenyl)-2,2'-bifuran-5-carboxamidi
    Show More

    Mol. Formula:
    C15H10Cl2N2O2

    M.W.:
    321.16

    Type:
    Unknown

    AlogP:
    4.80

    Polar Surface Area:
    76.15

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  11. ALA4475170

    Name:
    Methyl 6-methoxy-3-(2-methoxyphenyl)-1H-indole-2-c
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    Mol. Formula:
    C18H17NO4

    M.W.:
    311.34

    Type:
    Unknown

    AlogP:
    3.64

    Polar Surface Area:
    60.55

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  12. ALA4475156

    Name:
    Methyl 2-hydroxy-3-oxo-6,23-epoxyursa-1,5,12-trien
    Show More

    Mol. Formula:
    C31H42O5

    M.W.:
    494.67

    Type:
    Unknown

    AlogP:
    6.31

    Polar Surface Area:
    72.83

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.34

    DETAILS
  13. ALA4475094

    Name:
    17beta-(3-Furyl)-14,15beta-epoxy-3beta-methoxy-5al
    Show More

    Mol. Formula:
    C24H34O4

    M.W.:
    386.53

    Type:
    Unknown

    AlogP:
    4.52

    Polar Surface Area:
    55.13

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  14. ALA4475090

    Name:
    Erythrofordin E

    Mol. Formula:
    C21H30O4

    M.W.:
    346.47

    Type:
    Unknown

    AlogP:
    3.73

    Polar Surface Area:
    60.44

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  15. ALA4475044

    Name:
    NA

    Mol. Formula:
    C23H14O5S

    M.W.:
    402.43

    Type:
    Unknown

    AlogP:
    2.60

    Polar Surface Area:
    88.51

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  16. ALA4474934

    Name:
    (+/-)-7,8-diethoxy-2,3,4-trihydroxy-9-methoxy-1,3,
    Show More

    Mol. Formula:
    C18H25NO7

    M.W.:
    367.40

    Type:
    Unknown

    AlogP:
    0.17

    Polar Surface Area:
    117.48

    HBA:
    7

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  17. ALA4474420

    Name:
    Methyl 1-cyano-2,3-seco-2-nor-3-formyl-6,23-epoxyu
    Show More

    Mol. Formula:
    C31H43NO4

    M.W.:
    493.69

    Type:
    Unknown

    AlogP:
    6.39

    Polar Surface Area:
    76.39

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  18. ALA4474138

    Name:
    (+/-)-benzyl 4-(benzo[d][1,3]dioxol-5-yl)-6-methyl
    Show More

    Cas Number:
    296262-59-4

    Mol. Formula:
    C20H18N2O5

    M.W.:
    366.37

    Type:
    Unknown

    AlogP:
    2.79

    Polar Surface Area:
    85.89

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  19. ALA4540387

    Name:
    Methyl 2-oxo-3beta-trans-cinnamoyloxy-6,23-epoxyur
    Show More

    Mol. Formula:
    C40H50O6

    M.W.:
    626.83

    Type:
    Unknown

    AlogP:
    7.88

    Polar Surface Area:
    78.90

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  20. ALA4539000

    Name:
    Methyl 2alpha,3beta,6beta,23-tetrahydroxyurs-12-en
    Show More

    Mol. Formula:
    C31H50O6

    M.W.:
    518.74

    Type:
    Unknown

    AlogP:
    4.09

    Polar Surface Area:
    107.22

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
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