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  1. ALA4879327

    Name:
    4,8-dibromo-5H-[1,3]dioxolo[4,5-f]indole-7-carbald
    Show More

    Mol. Formula:
    C10H5Br2NO3

    M.W.:
    346.96

    Type:
    Unknown

    AlogP:
    3.23

    Polar Surface Area:
    51.32

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.81

    DETAILS
  2. ALA4879004

    Name:
    (E)-6-chloro-N-(4-fluorophenethyl)-2-(3,4,5-trimet
    Show More

    Mol. Formula:
    C23H23ClFN3O3

    M.W.:
    443.91

    Type:
    Unknown

    AlogP:
    5.12

    Polar Surface Area:
    65.50

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  3. ALA4878971

    Name:
    (E)-N-(4-methoxyphenyl)-2-(3,4,5-trimethoxystyryl)
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    Mol. Formula:
    C24H23N3O4S

    M.W.:
    449.53

    Type:
    Unknown

    AlogP:
    5.64

    Polar Surface Area:
    74.73

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  4. ALA4878809

    Name:
    3,5-O,O-di-triethylsilyl resveratrol

    Mol. Formula:
    C26H40O3Si2

    M.W.:
    456.78

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA4878783

    Name:
    (+/-)-Virolongin B

    Cas Number:
    41535-94-8

    Mol. Formula:
    C23H30O6

    M.W.:
    402.49

    Type:
    Unknown

    AlogP:
    4.47

    Polar Surface Area:
    55.38

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  6. ALA4878747

    Name:
    N-Acetyl-3-methoxynornantenine

    Mol. Formula:
    C22H23NO6

    M.W.:
    397.43

    Type:
    Unknown

    AlogP:
    3.11

    Polar Surface Area:
    66.46

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.79

    DETAILS
  7. ALA4878737

    Name:
    Longipetalol A

    Mol. Formula:
    C38H44O9

    M.W.:
    644.76

    Type:
    Unknown

    AlogP:
    4.50

    Polar Surface Area:
    136.43

    HBA:
    9

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  8. ALA4878711

    Name:
    7beta-hydroxy-ent-pimara-8(14),15-dien-19-oic acid

    Mol. Formula:
    C20H32O3

    M.W.:
    320.47

    Type:
    Unknown

    AlogP:
    4.26

    Polar Surface Area:
    57.53

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  9. ALA4878622

    Name:
    (3S,10R,13S,17S)-3-hydroxy-10,13-dimethyl-N-propyl
    Show More

    Mol. Formula:
    C23H37NO2

    M.W.:
    359.55

    Type:
    Unknown

    AlogP:
    4.45

    Polar Surface Area:
    49.33

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.73

    DETAILS
  10. ALA4878551

    Name:
    (E)-N-(4-fluorophenethyl)-2-(3,4,5-trimethoxystyry
    Show More

    Mol. Formula:
    C23H24FN3O3

    M.W.:
    409.46

    Type:
    Unknown

    AlogP:
    4.47

    Polar Surface Area:
    65.50

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  11. ALA4878513

    Name:
    Chrysaindilide B; (+)-(1R,5R,6R,7R,8S,10S)-8-angel
    Show More

    Mol. Formula:
    C20H24O5

    M.W.:
    344.41

    Type:
    Unknown

    AlogP:
    2.76

    Polar Surface Area:
    69.67

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  12. ALA4878502

    Name:
    n-butylsyringin

    Mol. Formula:
    C21H32O9

    M.W.:
    428.48

    Type:
    Unknown

    AlogP:
    0.71

    Polar Surface Area:
    127.07

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  13. ALA4878329

    Name:
    Deacetyloyatifolin

    Mol. Formula:
    C15H20O4

    M.W.:
    264.32

    Type:
    Unknown

    AlogP:
    1.49

    Polar Surface Area:
    66.76

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  14. ALA4878218

    Name:
    (E)-N-methyl-N-phenyl-2-styrylthieno[3,2-d]pyrimid
    Show More

    Mol. Formula:
    C21H17N3S

    M.W.:
    343.46

    Type:
    Unknown

    AlogP:
    5.63

    Polar Surface Area:
    29.02

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  15. ALA4878187

    Name:
    Secofumigaclavine A

    Mol. Formula:
    C23H30N2O4

    M.W.:
    398.50

    Type:
    Unknown

    AlogP:
    3.39

    Polar Surface Area:
    75.71

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  16. ALA4878120

    Name:
    (S)-3-(benzo[d][1,3]dioxol-5-yl)-7,8-dimethoxy-2-(
    Show More

    Mol. Formula:
    C27H24N2O9

    M.W.:
    520.49

    Type:
    Unknown

    AlogP:
    4.55

    Polar Surface Area:
    120.52

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  17. ALA4877882

    Name:
    (E)-N-phenethyl-2-(3,4,5-trimethoxystyryl)pyrimidi
    Show More

    Mol. Formula:
    C23H25N3O3

    M.W.:
    391.47

    Type:
    Unknown

    AlogP:
    4.33

    Polar Surface Area:
    65.50

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  18. ALA4877800

    Name:
    Munrolin D

    Mol. Formula:
    C33H42O10

    M.W.:
    598.69

    Type:
    Unknown

    AlogP:
    3.45

    Polar Surface Area:
    149.57

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  19. ALA4877780

    Name:
    3-(benzo[d][1,3]dioxol-5-yl)-7,8-dimethoxy-2-(1-me
    Show More

    Mol. Formula:
    C28H24F3NO6S

    M.W.:
    559.56

    Type:
    Unknown

    AlogP:
    6.37

    Polar Surface Area:
    68.15

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  20. ALA4877736

    Name:
    (3S,10R,13S,17S)eN-(2-acetamidoethyl)-3-hydroxy-10
    Show More

    Mol. Formula:
    C24H38N2O3

    M.W.:
    402.58

    Type:
    Unknown

    AlogP:
    3.18

    Polar Surface Area:
    78.43

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
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