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  1. ALA4787323

    Name:
    3-(4-(2-(5-methyl-2-phenyloxazol-4-yl)ethoxy)benzo[d]oxazol-2-yl)propanoic Show More

    Mol. Formula:
    C22H20N2O5

    M.W.:
    392.41

    Type:
    Unknown

    AlogP:
    4.43

    Polar Surface Area:
    98.59

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  2. ALA4786626

    Name:
    ethyl 2-(4-methoxy-3-(2-(5-methyl-2-phenylthiazol-4-yl)ethoxy)phenyl)etheneShow More

    Mol. Formula:
    C23H25NO5S2

    M.W.:
    459.59

    Type:
    Unknown

    AlogP:
    5.09

    Polar Surface Area:
    74.72

    HBA:
    7

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  3. 6-amino-1,4-dihydroquinoxaline-2,3-dione

    Name:
    6-aminoquinoxaline-2,3(1H,4H)-dione

    Mol. Formula:
    C8H7N3O2

    M.W.:
    177.16

    Type:
    Unknown

    AlogP:
    -0.20

    Polar Surface Area:
    91.74

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  4. ALA4450771

    Name:
    6,6'-thiobis(2,4,5-trichlorophenol)

    Mol. Formula:
    C12H4Cl6O2S

    M.W.:
    424.95

    Type:
    Unknown

    AlogP:
    7.17

    Polar Surface Area:
    40.46

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.50

    DETAILS
  5. ALA3576921

    Name:
    versipelostatin F

    Mol. Formula:
    C61H94O18

    M.W.:
    1115.41

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. Type:
    Small molecule

    AlogP:
    6.41

    Polar Surface Area:
    40.46

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  7. ALA2007501

    Name:
    SID99455138

    Mol. Formula:
    C20H28N2O6S

    M.W.:
    424.52

    Type:
    Small molecule

    AlogP:
    2.08

    Polar Surface Area:
    102.01

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.75

    DETAILS
  8. ALA2007188

    Name:
    SID99360372

    Mol. Formula:
    C33H36N2O4

    M.W.:
    524.66

    Type:
    Small molecule

    AlogP:
    6.16

    Polar Surface Area:
    67.87

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  9. ALA2007018

    Name:
    SID103060717

    Mol. Formula:
    C24H23N3O4

    M.W.:
    417.47

    Type:
    Small molecule

    AlogP:
    4.65

    Polar Surface Area:
    74.09

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  10. ALA2006916

    Name:
    SID26755317

    Mol. Formula:
    C22H31NO2

    M.W.:
    341.50

    Type:
    Small molecule

    AlogP:
    4.26

    Polar Surface Area:
    61.09

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  11. ALA2005422

    Name:
    SID103050357

    Mol. Formula:
    C22H18FN3O2

    M.W.:
    375.40

    Type:
    Small molecule

    AlogP:
    4.26

    Polar Surface Area:
    66.63

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  12. ALA2004743

    Name:
    SID103051217

    Mol. Formula:
    C24H26N4O3

    M.W.:
    418.50

    Type:
    Small molecule

    AlogP:
    3.70

    Polar Surface Area:
    90.54

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  13. ALA2003675

    Name:
    SID57265269

    Mol. Formula:
    C15H23N3O4S2

    M.W.:
    373.50

    Type:
    Small molecule

    AlogP:
    0.77

    Polar Surface Area:
    109.57

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  14. ALA2001968

    Name:
    SID121286150

    Mol. Formula:
    C27H27F4N3O2

    M.W.:
    501.52

    Type:
    Small molecule

    AlogP:
    5.84

    Polar Surface Area:
    44.81

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  15. ALA2001078

    Name:
    SID103050858

    Mol. Formula:
    C25H30N2O4S

    M.W.:
    454.59

    Type:
    Small molecule

    AlogP:
    3.93

    Polar Surface Area:
    83.55

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  16. ALA1999337

    Name:
    SID103051264

    Mol. Formula:
    C23H23N3O5

    M.W.:
    421.45

    Type:
    Small molecule

    AlogP:
    3.06

    Polar Surface Area:
    89.87

    HBA:
    6

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  17. ALA1999274

    Name:
    SID85272489

    Mol. Formula:
    C21H25N5O4

    M.W.:
    411.46

    Type:
    Small molecule

    AlogP:
    2.11

    Polar Surface Area:
    108.23

    HBA:
    8

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  18. ALA1998921

    Name:
    SID124949790

    Mol. Formula:
    C24H29N5O3S

    M.W.:
    467.60

    Type:
    Small molecule

    AlogP:
    3.50

    Polar Surface Area:
    80.56

    HBA:
    8

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  19. ALA1997289

    Name:
    SID99453980

    Mol. Formula:
    C15H11F2NO2S

    M.W.:
    307.32

    Type:
    Small molecule

    AlogP:
    3.94

    Polar Surface Area:
    46.26

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.80

    DETAILS
  20. ALA1996951

    Name:
    SID87336126

    Mol. Formula:
    C23H28N6O5

    M.W.:
    468.51

    Type:
    Small molecule

    AlogP:
    1.83

    Polar Surface Area:
    137.33

    HBA:
    10

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
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