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  1. ALA5279925

    Name:
    1-(2-(benzyloxy)phenyl)-3-(3-chlorophenyl)urea

    Mol. Formula:
    C20H17ClN2O2

    M.W.:
    352.82

    Type:
    ---

    AlogP:
    5.56

    Polar Surface Area:
    50.36

    HBA:
    2

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  2. ALA5275318

    Name:
    ethyl (R)-1-((2,3-di(furan-2-yl)quinoxalin-6-yl)ca
    Show More

    Mol. Formula:
    C25H24N4O5

    M.W.:
    460.49

    Type:
    ---

    AlogP:
    4.96

    Polar Surface Area:
    110.70

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  3. ALA5273604

    Name:
    (2,3-dihydro-1H-inden-1-yl)(4-methoxy-4'-(trifluor
    Show More

    Mol. Formula:
    C24H19F3O3

    M.W.:
    412.41

    Type:
    ---

    AlogP:
    6.17

    Polar Surface Area:
    35.53

    HBA:
    3

    HBD:
    ---

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.47

    DETAILS
  4. ALA5268140

    Name:
    1-(2-(benzyloxy)phenyl)-3-(4-nitrophenyl)urea

    Mol. Formula:
    C20H17N3O4

    M.W.:
    363.37

    Type:
    ---

    AlogP:
    4.82

    Polar Surface Area:
    93.50

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  5. ALA5094458

    Name:
    (4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(
    Show More

    Mol. Formula:
    C66H120N20O18S2

    M.W.:
    1545.94

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA5092586

    Name:
    3-((4R,7S,10S,13S,16S,22S,25S,28S,31S,34S,37S,40R)
    Show More

    Mol. Formula:
    C63H111N19O18S2

    M.W.:
    1486.83

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA5091379

    Name:
    3-((4R,7S,10S,13S,16S,22S,25S,28S,31S,34S,37S,40R)
    Show More

    Mol. Formula:
    C63H112N20O18S2

    M.W.:
    1501.84

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA5089595

    Name:
    3-((4R,7S,10S,13S,16S,22S,25S,28S,31S,34S,37S,40R)
    Show More

    Mol. Formula:
    C66H118N20O18S2

    M.W.:
    1543.93

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA5087639

    Name:
    3-((4R,7S,10S,13S,16S,22S,25S,28S,31S,34S,37S,40R)
    Show More

    Mol. Formula:
    C64H114N20O18S2

    M.W.:
    1515.87

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA5085991

    Name:
    3-((4R,7S,10S,13S,16S,22S,25S,28S,31S,34S,37S,40R)
    Show More

    Mol. Formula:
    C63H112N20O18S2

    M.W.:
    1501.84

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA5083488

    Name:
    3-((4R,7S,10S,13S,16S,22S,25S,28S,31S,34S,37S,40R)
    Show More

    Mol. Formula:
    C63H111N17O18S2

    M.W.:
    1458.82

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA5082292

    Name:
    2-((4R,7S,10S,13S,19S,22S,25S,28S,31S,34R)-34-acet
    Show More

    Mol. Formula:
    C55H100N18O14S2

    M.W.:
    1301.65

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA5081084

    Name:
    3-((4R,7S,10S,13S,16S,22S,25S,28S,31S,34S,37S,40R)
    Show More

    Mol. Formula:
    C63H111N19O18S2

    M.W.:
    1486.83

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA5081001

    Name:
    3-((4R,7S,10S,13S,16S,22S,25S,28S,31S,34S,37S,40R)
    Show More

    Mol. Formula:
    C63H112N20O18S2

    M.W.:
    1501.84

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA5080030

    Name:
    3-((4R,7S,10S,13S,16S,22S,25S,28S,31S,34S,37S,40R)
    Show More

    Mol. Formula:
    C63H111N19O18S2

    M.W.:
    1486.83

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA4090107

    Name:
    (13E,15E)-(3S,6S,9R,10R,11S,12S,21S)-3-(3-Hydroxy-
    Show More

    Mol. Formula:
    C34H50N4O8

    M.W.:
    642.79

    Type:
    Small molecule

    AlogP:
    2.42

    Polar Surface Area:
    155.53

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  17. ALA4745604

    Name:
    pyrrolidine-1-carbaldehyde

    Cas Number:
    3760-54-1

    Mol. Formula:
    C5H9NO

    M.W.:
    99.13

    Type:
    Unknown

    AlogP:
    0.24

    Polar Surface Area:
    20.31

    HBA:
    1

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    Y

    QED Weighted:
    0.43

    DETAILS
  18. ALA4175329

    Name:
    (2'R,3'S,7'S,10'S,E)-10'-Isopropyl-2',7'-dimethyl-
    Show More

    Mol. Formula:
    C32H41N5O7S

    M.W.:
    639.78

    Type:
    Small molecule

    AlogP:
    2.20

    Polar Surface Area:
    163.87

    HBA:
    9

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  19. ALA4174251

    Name:
    (5(3)S,2R,7S,10S,E)-10-Isopropyl-2,7-dimethyl-5(1)
    Show More

    Mol. Formula:
    C28H35N5O5

    M.W.:
    521.62

    Type:
    Small molecule

    AlogP:
    2.40

    Polar Surface Area:
    129.73

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  20. ALA4173859

    Name:
    (5(3)S,2R,7S,10S,13R,14R,E)-10-Isopropyl-14-methox
    Show More

    Mol. Formula:
    C31H41N5O6

    M.W.:
    579.70

    Type:
    Small molecule

    AlogP:
    2.66

    Polar Surface Area:
    138.96

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.46

    DETAILS
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