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  1. ALA4476211

    Name:
    5-methoxy-2-phenylisoindoline-1,3-dione

    Mol. Formula:
    C15H11NO3

    M.W.:
    253.26

    Type:
    Unknown

    AlogP:
    2.50

    Polar Surface Area:
    46.61

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.77

    DETAILS
  2. ALA4537830

    Name:
    N-(5-Chloro-2-methoxybenzyl)-N-(4-(N-(prop-2-yn-1-
    Show More

    Mol. Formula:
    C22H25ClN2O4S

    M.W.:
    448.97

    Type:
    Unknown

    AlogP:
    3.24

    Polar Surface Area:
    75.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  3. ALA4536818

    Name:
    N-(2-(sec-Butoxy)-5-chlorobenzyl)-N-(4-(N-(prop-2-
    Show More

    Mol. Formula:
    C28H31ClN2O4S2

    M.W.:
    559.15

    Type:
    Unknown

    AlogP:
    5.30

    Polar Surface Area:
    75.71

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  4. ALA4521108

    Name:
    N-(5-Chloro-2-propoxybenzyl)-3-phenyl-N-(4-(N-(pro
    Show More

    Mol. Formula:
    C30H33ClN2O4S

    M.W.:
    553.12

    Type:
    Unknown

    AlogP:
    5.24

    Polar Surface Area:
    75.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  5. ALA4520880

    Name:
    N-(5-Chloro-2-propoxybenzyl)-N-(4-(N-(prop-2-yn-1-
    Show More

    Mol. Formula:
    C28H30ClN3O4S

    M.W.:
    540.09

    Type:
    Unknown

    AlogP:
    4.25

    Polar Surface Area:
    88.60

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  6. Type:
    Unknown

    AlogP:
    4.92

    Polar Surface Area:
    75.71

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  7. ALA4570220

    Name:
    N-(5-Chloro-2-propoxybenzyl)-N-(4-(N-(prop-2-yn-1-
    Show More

    Mol. Formula:
    C24H25ClN4O4S2

    M.W.:
    533.08

    Type:
    Unknown

    AlogP:
    3.78

    Polar Surface Area:
    101.49

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  8. ALA4568669

    Name:
    N-(5-Chloro-2-methoxybenzyl)-N-(4-(N-(prop-2-yn-1-
    Show More

    Mol. Formula:
    C25H31ClN2O4S

    M.W.:
    491.05

    Type:
    Unknown

    AlogP:
    4.41

    Polar Surface Area:
    75.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  9. ALA4567140

    Name:
    N-(5-Chloro-2-propoxybenzyl)-2-phenyl-N-(4-(N-(pro
    Show More

    Mol. Formula:
    C29H31ClN2O4S

    M.W.:
    539.10

    Type:
    Unknown

    AlogP:
    4.85

    Polar Surface Area:
    75.71

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  10. ALA4759939

    Name:
    beta-Cyclocostunolide

    Cas Number:
    2221-82-1

    Mol. Formula:
    C15H20O2

    M.W.:
    232.32

    Type:
    Unknown

    AlogP:
    3.24

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  11. ALA4756259

    Name:
    NA

    Mol. Formula:
    C27H35N3O8S

    M.W.:
    561.66

    Type:
    Unknown

    AlogP:
    2.68

    Polar Surface Area:
    138.41

    HBA:
    10

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.15

    DETAILS
  12. Type:
    Unknown

    AlogP:
    1.99

    Polar Surface Area:
    104.73

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  13. ALA4781662

    Name:
    (3R,3aS,9R,9aS,9bS)-3-[[2-[[4-(benzenesulfonyl)-5-
    Show More

    Mol. Formula:
    C26H33N3O8S

    M.W.:
    547.63

    Type:
    Unknown

    AlogP:
    1.88

    Polar Surface Area:
    146.11

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  14. ALA4796060

    Name:
    NA

    Mol. Formula:
    C26H30F3N3O5S

    M.W.:
    553.60

    Type:
    Unknown

    AlogP:
    4.90

    Polar Surface Area:
    93.29

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  15. ALA4795353

    Name:
    alpha-Cyclocostunolide

    Cas Number:
    2221-81-0

    Mol. Formula:
    C15H20O2

    M.W.:
    232.32

    Type:
    Unknown

    AlogP:
    3.24

    Polar Surface Area:
    26.30

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  16. ALA4861925

    Name:
    N-Benzyl-2-(4-((E)-3,5-dimethoxy-2-((E)-2-nitrovin
    Show More

    Mol. Formula:
    C27H26N2O6

    M.W.:
    474.51

    Type:
    Unknown

    AlogP:
    4.82

    Polar Surface Area:
    99.93

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  17. ALA4861777

    Name:
    (E)-3-(4-methoxy-3,5-dimethylphenyl)-1-(4-(methylt
    Show More

    Mol. Formula:
    C19H20O2S

    M.W.:
    312.43

    Type:
    Unknown

    AlogP:
    4.93

    Polar Surface Area:
    26.30

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.44

    DETAILS
  18. ALA4860713

    Name:
    N-(2-butyl-3-(4-(3-(dibutylamino)propoxy)benzoyl)b
    Show More

    Mol. Formula:
    C35H45N3O5S

    M.W.:
    619.83

    Type:
    Unknown

    AlogP:
    7.87

    Polar Surface Area:
    101.74

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  19. ALA4860676

    Name:
    1,5-Dimethoxy-2-((E)-2-nitrovinyl)-3-((E)-4-((4-(t
    Show More

    Mol. Formula:
    C26H22F3NO5

    M.W.:
    485.46

    Type:
    Unknown

    AlogP:
    6.72

    Polar Surface Area:
    70.83

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  20. ALA4860415

    Name:
    (E)-3-(4-(2-hydroxyethoxy)-3,5-dimethylphenyl)-1-(
    Show More

    Mol. Formula:
    C20H22O3S

    M.W.:
    342.46

    Type:
    Unknown

    AlogP:
    4.29

    Polar Surface Area:
    46.53

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
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