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Items 1-20 of 28,527

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  1. ALA5314354

    Name:
    Polymyxin

    Mol. Formula:

    M.W.:

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA5291476

    Name:
    8-(2-(4-((3-(2,5-difluorophenyl)propyl)amino)-2-ox
    Show More

    Mol. Formula:
    C28H32F3N3O3

    M.W.:
    515.58

    Type:
    ---

    AlogP:
    4.04

    Polar Surface Area:
    76.38

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  3. ALA5291464

    Name:
    methyl 7-amino-4-oxo-5-phenyl-2-thioxo-2,3,4,5-tet
    Show More

    Mol. Formula:
    C15H13N3O4S

    M.W.:
    331.35

    Type:
    ---

    AlogP:
    1.30

    Polar Surface Area:
    110.20

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  4. ALA5291424

    Name:
    (6S,6aR,7S,12aR)-7-(4-hydroxystyryl)-8-methoxy-6-p
    Show More

    Mol. Formula:
    C31H26O6

    M.W.:
    494.54

    Type:
    ---

    AlogP:
    6.49

    Polar Surface Area:
    88.38

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  5. ALA5291394

    Name:
    Hyperibone I

    Mol. Formula:
    C33H42O5

    M.W.:
    518.69

    Type:
    ---

    AlogP:
    6.57

    Polar Surface Area:
    80.67

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  6. ALA5291338

    Name:
    N-(3-(1H-imidazol-1-yl)propyl)-N-(benzo[d]thiazol-
    Show More

    Mol. Formula:
    C18H16N4O2S

    M.W.:
    352.42

    Type:
    ---

    AlogP:
    3.82

    Polar Surface Area:
    64.16

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  7. ALA5291337

    Name:
    4-(di(1H-pyrrol-2-yl)methyl)benzoic acid

    Mol. Formula:
    C16H14N2O2

    M.W.:
    266.30

    Type:
    ---

    AlogP:
    3.22

    Polar Surface Area:
    68.88

    HBA:
    1

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.68

    DETAILS
  8. ALA5291311

    Name:
    (2S,5S,8S,14S,17S,20S,23S,26S,29S,32S,35S,38S,41S,
    Show More

    Mol. Formula:
    C100H176N26O18

    M.W.:
    2030.67

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA5291221

    Name:
    methyl 7-amino-5-(4-nitrophenyl)-4-oxo-2-thioxo-2,
    Show More

    Mol. Formula:
    C15H12N4O6S

    M.W.:
    376.35

    Type:
    ---

    AlogP:
    1.21

    Polar Surface Area:
    153.34

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  10. ALA5291144

    Name:
    8-chloro-1-cyclopropyl-6-fluoro-7-(3-((2-hydroxy-3
    Show More

    Mol. Formula:
    C23H24ClFN6O6

    M.W.:
    534.93

    Type:
    ---

    AlogP:
    2.16

    Polar Surface Area:
    155.76

    HBA:
    10

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.28

    DETAILS
  11. ALA5291118

    Name:
    1-[3-[(2S,5S,8S,11S,14S)-5-(3-guanidinopropyl)-8,1
    Show More

    Mol. Formula:
    C45H54N14O5

    M.W.:
    871.02

    Type:
    ---

    AlogP:
    1.12

    Polar Surface Area:
    316.67

    HBA:
    7

    HBD:
    14

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  12. ALA5291090

    Name:

    Mol. Formula:
    C95H131Cl2N15O28

    M.W.:
    2002.08

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA5291039

    Name:
    8-bromo-6-(tert-butyl)-1-(4-methoxyphenyl)-6H-furo
    Show More

    Mol. Formula:
    C21H20BrNO2

    M.W.:
    398.30

    Type:
    ---

    AlogP:
    6.58

    Polar Surface Area:
    27.30

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  14. ALA5291037

    Name:
    (5S,7S,9S,12S,14S,15S)-15-[(S)-(3,5-dihydroxypheny
    Show More

    Mol. Formula:
    C29H50O6

    M.W.:
    494.71

    Type:
    ---

    AlogP:
    5.74

    Polar Surface Area:
    118.22

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  15. ALA5291005

    Name:
    3-(2,3-dichlorophenyl)-6-fluoro-5H-[1,2,4]oxadiazo
    Show More

    Mol. Formula:
    C11H4Cl2FN3O2

    M.W.:
    300.08

    Type:
    ---

    AlogP:
    2.80

    Polar Surface Area:
    60.40

    HBA:
    5

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.69

    DETAILS
  16. ALA5290999

    Name:
    N-[[(5S)-2-oxo-3-[4-[(3,5,6-trimethylpyrazin-2-yl)
    Show More

    Mol. Formula:
    C23H24N4O5

    M.W.:
    436.47

    Type:
    ---

    AlogP:
    3.33

    Polar Surface Area:
    106.79

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.61

    DETAILS
  17. ALA5290990

    Name:
    2-(1-(4-(3-(4-(cyclopropylethynyl)phenyl)ureido)ph
    Show More

    Mol. Formula:
    C21H22N6O

    M.W.:
    374.45

    Type:
    ---

    AlogP:
    3.30

    Polar Surface Area:
    115.39

    HBA:
    3

    HBD:
    5

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.24

    DETAILS
  18. ALA5290941

    Name:
    3-methoxy-8-(piperidin-1-yl)-10,11-dihydrodibenzo[
    Show More

    Mol. Formula:
    C20H23NO4

    M.W.:
    341.41

    Type:
    ---

    AlogP:
    3.99

    Polar Surface Area:
    62.16

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.86

    DETAILS
  19. ALA5290938

    Name:
    Hyperibone L

    Mol. Formula:
    C29H36O4

    M.W.:
    448.60

    Type:
    ---

    AlogP:
    6.58

    Polar Surface Area:
    71.44

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  20. ALA5290925

    Name:
    2-(2,3-dichloro-6-hydroxyphenyl)-4-(1,3-diphenyl-1
    Show More

    Mol. Formula:
    C34H21Cl2N3O3

    M.W.:
    590.47

    Type:
    ---

    AlogP:
    8.85

    Polar Surface Area:
    81.15

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
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