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  1. ALA4875156

    Name:
    benzyl (2R)-6,8-dioxo-1,2,3,4,6,7,8,8a-octahydrona
    Show More

    Mol. Formula:
    C18H19NO4

    M.W.:
    313.35

    Type:
    Unknown

    AlogP:
    2.55

    Polar Surface Area:
    72.47

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.87

    DETAILS
  2. ALA4874833

    Name:
    (1R)-1-isopropyl-3,3a-dihydro-1H-indene-4,6(2H,5H)
    Show More

    Mol. Formula:
    C12H16O2

    M.W.:
    192.26

    Type:
    Unknown

    AlogP:
    2.14

    Polar Surface Area:
    34.14

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.60

    DETAILS
  3. ALA4863840

    Name:
    (7R)-7-((1r,4S)-4-propylcyclohexyl)-6,7,8,8a-tetra
    Show More

    Mol. Formula:
    C19H28O2

    M.W.:
    288.43

    Type:
    Unknown

    AlogP:
    4.48

    Polar Surface Area:
    34.14

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  4. ALA4858342

    Name:
    (Z)-2,3,4,4a,6,7-hexahydro-1H-benzo[7]annulene-5,8
    Show More

    Mol. Formula:
    C11H14O2

    M.W.:
    178.23

    Type:
    Unknown

    AlogP:
    2.04

    Polar Surface Area:
    34.14

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.57

    DETAILS
  5. ALA4857883

    Name:
    (1S)-ethyl 5,7-dioxo-1,2,3,4,4a,5,6,7-octahydronap
    Show More

    Mol. Formula:
    C13H16O4

    M.W.:
    236.27

    Type:
    Unknown

    AlogP:
    1.43

    Polar Surface Area:
    60.44

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  6. ALA4849737

    Name:
    (2S,Z)-2-methyl-2,3,4,4a,6,7-hexahydro-1H-benzo[7]
    Show More

    Mol. Formula:
    C12H16O2

    M.W.:
    192.26

    Type:
    Unknown

    AlogP:
    2.28

    Polar Surface Area:
    34.14

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.59

    DETAILS
  7. ALA4862882

    Name:
    (1S)-1-chloro-3,3a-dihydro-1H-indene-4,6(2H,5H)-di
    Show More

    Mol. Formula:
    C9H9ClO2

    M.W.:
    184.62

    Type:
    Unknown

    AlogP:
    1.47

    Polar Surface Area:
    34.14

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.42

    DETAILS
  8. ALA4862756

    Name:
    (1R,Z)-1-isopropyl-1,2,3,3a,5,6-hexahydroazulene-4
    Show More

    Mol. Formula:
    C13H18O2

    M.W.:
    206.28

    Type:
    Unknown

    AlogP:
    2.53

    Polar Surface Area:
    34.14

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.66

    DETAILS
  9. ALA5208041

    Name:
    2-(5-(5-chloro-2-hydroxybenzoyl)pyrimidin-2-yl)-1-
    Show More

    Mol. Formula:
    C18H13ClFN5O2

    M.W.:
    385.79

    Type:
    ---

    AlogP:
    3.26

    Polar Surface Area:
    113.49

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  10. ALA5198865

    Name:
    4,4'-(((2S,3R,4R,5S,6R)-3-((8Z,11Z)-heptadeca-8,11
    Show More

    Mol. Formula:
    C48H77NO13

    M.W.:
    876.14

    Type:
    ---

    AlogP:
    9.13

    Polar Surface Area:
    212.06

    HBA:
    11

    HBD:
    4

    #RO5 Violations:
    3

    #Rotatable Bonds:
    37

    Passes Ro3:
    N

    QED Weighted:
    0.02

    DETAILS
  11. ALA5193233

    Name:
    N-((2S,3R,4R,5S,6R)-5-(((2S,3R,4R,5S,6R)-3-acetami
    Show More

    Mol. Formula:
    C54H90N6O31

    M.W.:
    1319.33

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA5193111

    Name:
    4,4'-(((2S,3R,4R,5S,6R)-3-(heptadec-8-enamido)-4-(
    Show More

    Mol. Formula:
    C48H81NO13

    M.W.:
    880.17

    Type:
    ---

    AlogP:
    9.58

    Polar Surface Area:
    212.06

    HBA:
    11

    HBD:
    4

    #RO5 Violations:
    3

    #Rotatable Bonds:
    39

    Passes Ro3:
    N

    QED Weighted:
    0.02

    DETAILS
  13. ALA5191555

    Name:
    4,4'-(((2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3-tetrad
    Show More

    Mol. Formula:
    C42H73NO13

    M.W.:
    800.04

    Type:
    ---

    AlogP:
    7.69

    Polar Surface Area:
    212.06

    HBA:
    11

    HBD:
    4

    #RO5 Violations:
    3

    #Rotatable Bonds:
    35

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  14. ALA5190499

    Name:
    (4bR,8aR,9R)-11-(4-(isopropylamino)phenyl)-6,7,8,8
    Show More

    Mol. Formula:
    C25H32N2O

    M.W.:
    376.54

    Type:
    ---

    AlogP:
    5.48

    Polar Surface Area:
    35.50

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  15. ALA5184274

    Name:
    4,4'-(((2S,3R,4R,5S,6R)-3-(heptadeca-8,11-dienamid
    Show More

    Mol. Formula:
    C45H75NO13

    M.W.:
    838.09

    Type:
    ---

    AlogP:
    8.41

    Polar Surface Area:
    212.06

    HBA:
    11

    HBD:
    4

    #RO5 Violations:
    3

    #Rotatable Bonds:
    36

    Passes Ro3:
    N

    QED Weighted:
    0.02

    DETAILS
  16. ALA5183121

    Name:
    methyl 1-(N-acryloyl-N-(2-chloro-4-fluorophenyl)su
    Show More

    Mol. Formula:
    C16H18ClFN2O5S

    M.W.:
    404.85

    Type:
    ---

    AlogP:
    2.27

    Polar Surface Area:
    83.99

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.55

    DETAILS
  17. ALA5183013

    Name:
    4,4'-(((2S,3R,4R,5S,6R)-6-(hydroxymethyl)-3-(octad
    Show More

    Mol. Formula:
    C46H79NO13

    M.W.:
    854.13

    Type:
    ---

    AlogP:
    9.02

    Polar Surface Area:
    212.06

    HBA:
    11

    HBD:
    4

    #RO5 Violations:
    3

    #Rotatable Bonds:
    38

    Passes Ro3:
    N

    QED Weighted:
    0.02

    DETAILS
  18. ALA5179453

    Name:
    2-(5-(2-hydroxybenzoyl)pyrimidin-2-yl)-1-(4-methox
    Show More

    Mol. Formula:
    C19H17N5O3

    M.W.:
    363.38

    Type:
    ---

    AlogP:
    2.48

    Polar Surface Area:
    122.72

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  19. ALA5175448

    Name:
    1-(4-fluorophenyl)-2-(5-(2-hydroxy-4-methoxybenzoy
    Show More

    Mol. Formula:
    C19H16FN5O3

    M.W.:
    381.37

    Type:
    ---

    AlogP:
    2.62

    Polar Surface Area:
    122.72

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  20. ALA5174883

    Name:
    Loganetin

    Cas Number:
    29748-10-5

    Mol. Formula:
    C11H16O5

    M.W.:
    228.24

    Type:
    ---

    AlogP:
    0.02

    Polar Surface Area:
    75.99

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
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