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  1. ALA5269840

    Name:
    ((2S,5R)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2,5-dihydrofuShow More

    Mol. Formula:
    C26H22BrClN2O8

    M.W.:
    605.83

    Type:
    ---

    AlogP:
    3.58

    Polar Surface Area:
    125.92

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  2. ALA5171815

    Name:
    2,7-bis(3-(piperidin-1-yl)propyl)-10H-indolo[3,2-b]quinoline

    Mol. Formula:
    C31H40N4

    M.W.:
    468.69

    Type:
    ---

    AlogP:
    6.71

    Polar Surface Area:
    35.16

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  3. ALA4878076

    Name:
    NA

    Mol. Formula:
    C38H50N6O6

    M.W.:
    686.85

    Type:
    Unknown

    AlogP:
    3.43

    Polar Surface Area:
    139.44

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  4. ALA4876099

    Name:
    NA

    Mol. Formula:
    C33H42N6O6

    M.W.:
    618.74

    Type:
    Unknown

    AlogP:
    1.87

    Polar Surface Area:
    139.44

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  5. ALA4875768

    Name:
    NA

    Mol. Formula:
    C35H46N6O6

    M.W.:
    646.79

    Type:
    Unknown

    AlogP:
    2.51

    Polar Surface Area:
    139.44

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  6. ALA4865025

    Name:
    NA

    Mol. Formula:
    C36H40N6O6

    M.W.:
    652.75

    Type:
    Unknown

    AlogP:
    2.63

    Polar Surface Area:
    139.44

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  7. BRACO 19 trihydrochloride

    Name:
    N,N'-(9-(4-(Dimethylamino)phenylamino)acridine-3,6-diyl)bis(3-(pyrrolidin-1Show More

    Mol. Formula:
    C35H46Cl3N7O2

    M.W.:
    703.16

    Type:
    Unknown

    AlogP:
    6.05

    Polar Surface Area:
    92.84

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  8. ALA4568445

    Name:
    20(R),24(S)-epoxy-3beta,6alpha,12alpha,16beta,25-pentahydroxyanost-9(11)-enShow More

    Mol. Formula:
    C30H50O6

    M.W.:
    506.72

    Type:
    Unknown

    AlogP:
    3.57

    Polar Surface Area:
    110.38

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  9. ALA4562049

    Name:
    20(R),24(S)-epoxy-6alpha,16beta,25,30-tetrahydroxycycloartan-3-one

    Mol. Formula:
    C30H48O6

    M.W.:
    504.71

    Type:
    Unknown

    AlogP:
    3.62

    Polar Surface Area:
    107.22

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  10. ALA4545020

    Name:
    2-((1-(2-(3-(3-aminopropylamino)propylamino)-2-oxoethyl)quinolin-4(1H)-ylidShow More

    Mol. Formula:
    C26H32ClN5OS

    M.W.:
    498.10

    Type:
    Unknown

    AlogP:
    3.04

    Polar Surface Area:
    74.27

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  11. ALA4544357

    Name:
    2-((1-(2-(3-(4-(3-aminopropylamino)butylamino)propylamino)-2-oxoethyl)quinoShow More

    Mol. Formula:
    C30H41ClN6OS

    M.W.:
    569.22

    Type:
    Unknown

    AlogP:
    3.41

    Polar Surface Area:
    86.30

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  12. ALA4526267

    Name:
    N,N'-(4,4'-(4,4'-(1,3-phenylene)bis(1H-1,2,3-triazole-4,1-diyl))bis(4,1-pheShow More

    Mol. Formula:
    C38H44N10O2

    M.W.:
    672.84

    Type:
    Unknown

    AlogP:
    5.81

    Polar Surface Area:
    126.10

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  13. ALA4521145

    Name:
    20(R),24(S)-epoxy-3beta,6alpha,12alpha,16beta,25-pentahydroxycycloartane

    Mol. Formula:
    C30H50O6

    M.W.:
    506.72

    Type:
    Unknown

    AlogP:
    3.41

    Polar Surface Area:
    110.38

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  14. ALA4483805

    Name:
    20(R),24(S)-Epoxy-6alpha,11beta,16beta,25-tetrahydroxycycloartan-3-one

    Mol. Formula:
    C30H48O6

    M.W.:
    504.71

    Type:
    Unknown

    AlogP:
    3.62

    Polar Surface Area:
    107.22

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
  15. ALA4476641

    Name:
    N,N'-(4,4'-(4,4'-(1,3-phenylene)bis(1H-1,2,3-triazole-4,1-diyl))bis(4,1-pheShow More

    Mol. Formula:
    C36H40N10O2

    M.W.:
    644.78

    Type:
    Unknown

    AlogP:
    5.03

    Polar Surface Area:
    126.10

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  16. ALA4474033

    Name:
    2-((1-(2-(2-(2-(2-aminoethylamino)ethylamino)ethylamino)-2-oxoethyl)quinoliShow More

    Mol. Formula:
    C26H33ClN6OS

    M.W.:
    513.11

    Type:
    Unknown

    AlogP:
    1.85

    Polar Surface Area:
    86.30

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  17. ALA4463229

    Name:
    N,N'-(4,4'-(4,4'-(1,3-phenylene)bis(1H-1,2,3-triazole-4,1-diyl))bis(4,1-pheShow More

    Mol. Formula:
    C36H44N10O2

    M.W.:
    648.82

    Type:
    Unknown

    AlogP:
    5.52

    Polar Surface Area:
    126.10

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  18. ALA4459668

    Name:
    3-methyl-2-((1-(2-oxo-2-(2-(piperidin-1-yl)ethylamino)ethyl)quinolin-4(1H)-Show More

    Mol. Formula:
    C27H31BrN4OS

    M.W.:
    539.54

    Type:
    Unknown

    AlogP:
    4.20

    Polar Surface Area:
    39.46

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  19. ALA4459474

    Name:
    Thiazole orange chloride

    Mol. Formula:
    C19H17ClN2S

    M.W.:
    340.88

    Type:
    Unknown

    AlogP:
    4.20

    Polar Surface Area:
    7.12

    HBA:
    2

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  20. ALA4455539

    Name:
    3-methyl-2-((1-(2-oxo-2-(2-(pyrrolidin-1-yl)ethylamino)ethyl)quinolin-4(1H)Show More

    Mol. Formula:
    C26H29BrN4OS

    M.W.:
    525.52

    Type:
    Unknown

    AlogP:
    3.81

    Polar Surface Area:
    39.46

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
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