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  1. ALA4848488

    Name:
    NA

    Mol. Formula:
    C33H30N2O10

    M.W.:
    614.61

    Type:
    Unknown

    AlogP:
    3.91

    Polar Surface Area:
    143.64

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  2. ALA5291131

    Name:
    Ustilagomaydisin A

    Mol. Formula:
    C32H57N5O

    M.W.:
    527.84

    Type:
    ---

    AlogP:
    9.53

    Polar Surface Area:
    86.69

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    25

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  3. ALA4098451

    Name:
    4,4'-Dimethoxy-5,6,5',6'-dimethylenedioxy-2-methox
    Show More

    Mol. Formula:
    C39H42N4O17S

    M.W.:
    870.84

    Type:
    Small molecule

    AlogP:
    2.24

    Polar Surface Area:
    237.10

    HBA:
    20

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  4. ALA4097213

    Name:
    4,4'-Dimethoxy-5,6,5',6'-dimethylenedioxy-2-methox
    Show More

    Mol. Formula:
    C38H39N3O18S

    M.W.:
    857.80

    Type:
    Small molecule

    AlogP:
    2.33

    Polar Surface Area:
    243.09

    HBA:
    20

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  5. ALA4104403

    Name:
    7,7'-dimethoxy-5'-(methoxycarbonyl)-4,4'-bibenzo[d
    Show More

    Cas Number:
    205117-47-1

    Mol. Formula:
    C19H16O10

    M.W.:
    404.33

    Type:
    Small molecule

    AlogP:
    2.31

    Polar Surface Area:
    118.98

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  6. ALA4102336

    Name:
    2-((1-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1
    Show More

    Mol. Formula:
    C29H30FN5O4

    M.W.:
    531.59

    Type:
    Small molecule

    AlogP:
    4.32

    Polar Surface Area:
    90.74

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  7. ALA4101419

    Name:
    2-((1-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1
    Show More

    Mol. Formula:
    C32H37N5O7

    M.W.:
    603.68

    Type:
    Small molecule

    AlogP:
    4.21

    Polar Surface Area:
    118.43

    HBA:
    11

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  8. ALA4100840

    Name:
    2-((1-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1
    Show More

    Mol. Formula:
    C30H33N5O5

    M.W.:
    543.62

    Type:
    Small molecule

    AlogP:
    4.19

    Polar Surface Area:
    99.97

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  9. ALA4094434

    Name:
    {N-(2-One-2-[4-(3-phenylsulfonyl-1,2,5-oxadiazole-
    Show More

    Mol. Formula:
    C26H29N3O8S

    M.W.:
    543.60

    Type:
    Small molecule

    AlogP:
    2.93

    Polar Surface Area:
    138.13

    HBA:
    11

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  10. ALA4093700

    Name:
    2-((1-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1
    Show More

    Mol. Formula:
    C30H33N5O4

    M.W.:
    527.63

    Type:
    Small molecule

    AlogP:
    4.49

    Polar Surface Area:
    90.74

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  11. ALA4092147

    Name:
    N-(4-Chlorophenyl)-2-((1-(2-(6,7-dimethoxy-3,4-dih
    Show More

    Mol. Formula:
    C29H30ClN5O4

    M.W.:
    548.04

    Type:
    Small molecule

    AlogP:
    4.84

    Polar Surface Area:
    90.74

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  12. ALA4090729

    Name:
    4,4'-Dimethoxy-5,6,5',6'-dimethylenedioxy-2-methox
    Show More

    Mol. Formula:
    C38H39N3O16S

    M.W.:
    825.80

    Type:
    Small molecule

    AlogP:
    3.85

    Polar Surface Area:
    219.81

    HBA:
    19

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  13. ALA4087068

    Name:
    4,4'-Dimethoxy-5,6,5',6'-dimethylenedioxy-2-methox
    Show More

    Mol. Formula:
    C37H37N3O17S

    M.W.:
    827.77

    Type:
    Small molecule

    AlogP:
    2.70

    Polar Surface Area:
    233.86

    HBA:
    19

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  14. ALA4085950

    Name:
    2-((1-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1
    Show More

    Mol. Formula:
    C29H30N6O6

    M.W.:
    558.60

    Type:
    Small molecule

    AlogP:
    4.09

    Polar Surface Area:
    133.88

    HBA:
    10

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  15. ALA4074079

    Name:
    2-((1-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1
    Show More

    Mol. Formula:
    C30H33N5O4

    M.W.:
    527.63

    Type:
    Small molecule

    AlogP:
    4.49

    Polar Surface Area:
    90.74

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  16. ALA4073000

    Name:
    N-(3-Chlorophenyl)-2-((1-(2-(6,7-dimethoxy-3,4-dih
    Show More

    Mol. Formula:
    C29H30ClN5O4

    M.W.:
    548.04

    Type:
    Small molecule

    AlogP:
    4.84

    Polar Surface Area:
    90.74

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  17. ALA4072443

    Name:
    4,4'-Dimethoxy-5,6,5',6'-dimethylenedioxy-2-methox
    Show More

    Mol. Formula:
    C37H39N5O16S

    M.W.:
    841.80

    Type:
    Small molecule

    AlogP:
    1.04

    Polar Surface Area:
    239.90

    HBA:
    19

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  18. ALA4071419

    Name:
    4,4'-Dimethoxy-5,6,5',6'-dimethylenedioxy-2-methox
    Show More

    Mol. Formula:
    C39H42N4O18S

    M.W.:
    886.84

    Type:
    Small molecule

    AlogP:
    1.48

    Polar Surface Area:
    246.33

    HBA:
    21

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  19. ALA4071352

    Name:
    2-((1-(2-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1
    Show More

    Mol. Formula:
    C30H33N5O5

    M.W.:
    543.62

    Type:
    Small molecule

    AlogP:
    4.19

    Polar Surface Area:
    99.97

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  20. ALA4062778

    Name:
    4,4-Dimethoxy-5,6,5',6'-dimethylenedioxy-2-methoxy
    Show More

    Mol. Formula:
    C40H44N4O17S

    M.W.:
    884.87

    Type:
    Small molecule

    AlogP:
    2.63

    Polar Surface Area:
    237.10

    HBA:
    20

    HBD:
    ---

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
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