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  1. ALA2402975

    Name:
    2-[(4S,7S,10S,13S,16S,19S,22S,28S,31S,34R,37S,47R)-40-[(2S)-2-aminopropanamShow More

    Mol. Formula:
    C74H115N27O22S2Se2

    M.W.:
    1956.96

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA2402974

    Name:
    2-[(1R,6R,9S,12S,15S,18S,21S,24R,27S,33S,36S,39R,42S,47R,56R)-47-amino-9,21Show More

    Mol. Formula:
    C74H113N27O22S6

    M.W.:
    1925.29

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA2402973

    Name:
    2-[(4S,7S,10S,13S,16S,19S,22S,28S,31S,34R,37S,47R)-40-[(2S)-2-aminopropanamShow More

    Mol. Formula:
    C70H107N27O22S2Se2

    M.W.:
    1900.85

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA2402972

    Name:
    2-[(1R,6R,9S,12S,15S,18S,21S,24R,27S,33S,36S,39R,42S,47R,56R)-47-amino-31-bShow More

    Mol. Formula:
    C70H105N27O22S6

    M.W.:
    1869.18

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA2402971

    Name:
    2-[(4S,7S,10S,13S,16S,19S,22S,28S,31S,34R,37S,47R)-40-[(2S)-2-aminopropanamShow More

    Mol. Formula:
    C67H101N27O22S2Se2

    M.W.:
    1858.77

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA2402970

    Name:
    2-[(1R,6R,9S,12S,15S,18S,21S,24R,27S,33S,36S,39R,42S,47R,56R)-47-amino-9,21Show More

    Mol. Formula:
    C67H99N27O22S6

    M.W.:
    1827.10

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA2402969

    Name:
    2-[(1R,6R,9S,12S,15S,18S,21S,24R,27S,30S,33S,36S,39R,42S,47R,56R)-47-amino-Show More

    Mol. Formula:
    C70H106N28O22S6

    M.W.:
    1884.19

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA1917114

    Name:
    K9D13 linear

    Mol. Formula:
    C51H80N20O13

    M.W.:
    1181.33

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA1917109

    Name:
    (6S,9S,12S,15S)-12-((1H-imidazol-5-yl)methyl)-15-((S)-2-((3S,6S,9S,12S,20S)Show More

    Mol. Formula:
    C57H88N22O16

    M.W.:
    1337.47

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA554829

    Name:
    1,3-Diphenyl-imidazolidin-2-ylideneamine hydrobromide

    Mol. Formula:
    C15H16BrN3

    M.W.:
    318.22

    Type:
    Small molecule

    AlogP:
    2.95

    Polar Surface Area:
    30.33

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.87

    DETAILS
  11. N,N'-Diphenylguanidine monohydrobromide

    Name:
    N,N'-Diphenyl-guanidine hydrobromide

    Mol. Formula:
    C13H14BrN3

    M.W.:
    292.18

    Type:
    Small molecule

    AlogP:
    3.15

    Polar Surface Area:
    47.91

    HBA:
    1

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.53

    DETAILS
  12. ALA537480

    Name:
    1,5-Diphenyl-imidazolidin-(2Z)-ylideneamine hydrobromide

    Mol. Formula:
    C15H16BrN3

    M.W.:
    318.22

    Type:
    Small molecule

    AlogP:
    2.56

    Polar Surface Area:
    41.62

    HBA:
    3

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    Y

    QED Weighted:
    0.87

    DETAILS
  13. ALA542445

    Name:
    1,3-Bis-(4-sec-butyl-phenyl)-imidazolidin-2-ylideneamine hydrobromide

    Mol. Formula:
    C23H32BrN3

    M.W.:
    430.43

    Type:
    Small molecule

    AlogP:
    5.97

    Polar Surface Area:
    30.33

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  14. ALA545737

    Name:
    11,12-Dihydro-6H-dibenzo[b,f]azocine-5-carboxamidine hydrochloride

    Mol. Formula:
    C16H18ClN3

    M.W.:
    287.79

    Type:
    Small molecule

    AlogP:
    2.69

    Polar Surface Area:
    53.11

    HBA:
    1

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    Y

    QED Weighted:
    0.56

    DETAILS
  15. ALA545504

    Name:
    N,N'-Bis-(4-sec-butyl-phenyl)-N,N'-dimethyl-guanidine hydrochloride

    Mol. Formula:
    C23H34ClN3

    M.W.:
    388.00

    Type:
    Small molecule

    AlogP:
    6.22

    Polar Surface Area:
    30.33

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  16. ALA544569

    Name:
    N,N'-Bis-(4-ethoxy-phenyl)-guanidine hydrochloride

    Mol. Formula:
    C17H22ClN3O2

    M.W.:
    335.84

    Type:
    Small molecule

    AlogP:
    3.94

    Polar Surface Area:
    66.37

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.56

    DETAILS
  17. ALA543868

    Name:
    1,3-Bis-(4-sec-butyl-phenyl)-tetrahydro-pyrimidin-2-ylideneamine hydrobromiShow More

    Mol. Formula:
    C24H34BrN3

    M.W.:
    444.46

    Type:
    Small molecule

    AlogP:
    6.37

    Polar Surface Area:
    30.33

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.65

    DETAILS
  18. ALA553355

    Name:
    2-Phenyl-3,4-dihydro-2H-quinoline-1-carboxamidine hydrochloride

    Mol. Formula:
    C16H18ClN3

    M.W.:
    287.79

    Type:
    Small molecule

    AlogP:
    3.07

    Polar Surface Area:
    53.11

    HBA:
    1

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    1

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  19. ALA544330

    Name:
    9,15-Dioxa-2,4-diaza-tricyclo[14.2.2.2*5,8*]docosa-1(19),5(22),6,8(21),16(2Show More

    Mol. Formula:
    C18H22BrN3O2

    M.W.:
    392.30

    Type:
    Small molecule

    AlogP:
    3.69

    Polar Surface Area:
    68.87

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  20. ALA544329

    Name:
    1,3-Diphenyl-tetrahydro-pyrimidin-2-ylideneamine hydrobromide

    Mol. Formula:
    C16H18BrN3

    M.W.:
    332.25

    Type:
    Small molecule

    AlogP:
    3.34

    Polar Surface Area:
    30.33

    HBA:
    1

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.89

    DETAILS
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