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  1. ALA5267501

    Name:
    3-benzyl-5-((2-methoxyquinolin-3-yl)methylene)imidazolidine-2,4-dione

    Mol. Formula:
    C21H17N3O3

    M.W.:
    359.39

    Type:
    ---

    AlogP:
    3.34

    Polar Surface Area:
    71.53

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  2. ALA5267456

    Name:
    5-((4-((4'-cyano-3,5-dimethyl-[1,1'-biphenyl]-4-yl)oxy)thieno[3,2-d]pyrimidShow More

    Mol. Formula:
    C27H18N6OS

    M.W.:
    474.55

    Type:
    ---

    AlogP:
    6.65

    Polar Surface Area:
    107.51

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  3. ALA5267277

    Name:
    (S)-1-(fluoromethyl)-4-((1R,3aS,5aR,5bR,7aR,11aS,11bR,13aR,13bR)-3a-(4-hydrShow More

    Mol. Formula:
    C43H68FNO3

    M.W.:
    666.02

    Type:
    ---

    AlogP:
    10.22

    Polar Surface Area:
    69.56

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  4. ALA5267144

    Name:
    N1-(4-chloro-3-fluorophenyl)-N2-((1R,2R)-5-((4-(2,4-difluorophenyl)piperaziShow More

    Mol. Formula:
    C36H34ClF12N7O8

    M.W.:
    956.14

    Type:
    ---

    AlogP:
    3.53

    Polar Surface Area:
    126.58

    HBA:
    5

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  5. ALA5267065

    Name:
    (9R,10S)-10-isobutoxy-8,8-dimethyl-2-oxo-2,8,9,10-tetrahydropyrano[2,3-f]chShow More

    Mol. Formula:
    C20H24O6

    M.W.:
    360.41

    Type:
    ---

    AlogP:
    3.61

    Polar Surface Area:
    74.97

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  6. ALA5266908

    Name:
    5-(2-(N-(tert-butyl)sulfamoyl)-3-methylphenyl)-N-(4-methoxyphenyl)nicotinamShow More

    Mol. Formula:
    C24H27N3O4S

    M.W.:
    453.56

    Type:
    ---

    AlogP:
    4.39

    Polar Surface Area:
    97.39

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  7. ALA5266702

    Name:
    N'-(5-methyl-2-oxoindolin-3-ylidene)-2-((4-oxo-3-phenyl-3,4-dihydroquinazolShow More

    Mol. Formula:
    C25H19N5O3S

    M.W.:
    469.53

    Type:
    ---

    AlogP:
    3.26

    Polar Surface Area:
    105.45

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  8. ALA5266069

    Name:
    4-((2-((1-(4-amino-2,6-difluorophenyl)piperidin-4-yl)amino)thieno[3,2-d]pyrShow More

    Mol. Formula:
    C26H24F2N6OS

    M.W.:
    506.58

    Type:
    ---

    AlogP:
    5.91

    Polar Surface Area:
    100.09

    HBA:
    8

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.32

    DETAILS
  9. ALA5265947

    Name:
    6-(3,4-dihydroxy-5-methoxystyryl)-4-hydroxynaphthalene-1,3-dicarboxylic aciShow More

    Mol. Formula:
    C21H16O8

    M.W.:
    396.35

    Type:
    ---

    AlogP:
    3.53

    Polar Surface Area:
    144.52

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.33

    DETAILS
  10. ALA5265936

    Name:
    5-(2-(N-(tert-butyl)sulfamoyl)-5-methylphenyl)-N-(4-methoxyphenyl)nicotinamShow More

    Mol. Formula:
    C24H27N3O4S

    M.W.:
    453.56

    Type:
    ---

    AlogP:
    4.39

    Polar Surface Area:
    97.39

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  11. ALA5220846

    Name:
    Daphnepedunin E

    Mol. Formula:
    C37H46O11

    M.W.:
    666.76

    Type:
    ---

    AlogP:
    3.79

    Polar Surface Area:
    142.51

    HBA:
    11

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  12. ALA5220834

    Name:
    Daphnepedunin F

    Mol. Formula:
    C44H50O13

    M.W.:
    786.87

    Type:
    ---

    AlogP:
    4.63

    Polar Surface Area:
    168.81

    HBA:
    13

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  13. ALA5220727

    Name:
    Daphnepedunin D

    Mol. Formula:
    C37H48O11

    M.W.:
    668.78

    Type:
    ---

    AlogP:
    2.67

    Polar Surface Area:
    164.51

    HBA:
    11

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  14. ALA5220108

    Name:
    Daphnepedunin C

    Mol. Formula:
    C29H42O8

    M.W.:
    518.65

    Type:
    ---

    AlogP:
    2.62

    Polar Surface Area:
    117.98

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  15. ALA5220073

    Name:

    Mol. Formula:
    C30H44O8

    M.W.:
    532.67

    Type:
    ---

    AlogP:
    2.86

    Polar Surface Area:
    117.98

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  16. ALA5220009

    Name:
    Daphnepedunin B

    Mol. Formula:
    C30H44O9

    M.W.:
    548.67

    Type:
    ---

    AlogP:
    1.98

    Polar Surface Area:
    138.21

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  17. ALA5282732

    Name:
    4-[4-[(E)-2-cyanovinyl]-2,6-dimethyl-phenoxy]-2-[[1-[2-fluoro-4-(sulfamoylaShow More

    Mol. Formula:
    C28H28FN7O3S2

    M.W.:
    593.71

    Type:
    ---

    AlogP:
    5.47

    Polar Surface Area:
    146.26

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  18. ALA5282676

    Name:
    N-(4-methoxyphenyl)-2'-(N-(tert-pentyl)sulfamoyl)-[1,1'-biphenyl]-3-carboxaShow More

    Mol. Formula:
    C25H28N2O4S

    M.W.:
    452.58

    Type:
    ---

    AlogP:
    5.08

    Polar Surface Area:
    84.50

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  19. ALA5282670

    Name:
    2,2',2'',2'''-(2',5'-dimethyl-[1,1':4',1''-terphenyl]-2,2'',5,5''-tetrayl)tShow More

    Mol. Formula:
    C28H38N4

    M.W.:
    430.64

    Type:
    ---

    AlogP:
    3.64

    Polar Surface Area:
    104.08

    HBA:
    4

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  20. ALA5282652

    Name:
    (E)-4-((4-(4-(2-cyanovinyl)-2,6-dimethylphenoxy)-5,7-dihydrofuro[3,4-d]pyriShow More

    Mol. Formula:
    C24H18FN5O2

    M.W.:
    427.44

    Type:
    ---

    AlogP:
    5.21

    Polar Surface Area:
    103.85

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
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