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Compounds

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  1. ALA1689483

    Name:
    (3S,6S,9S,12S,15S)-3-((S)-2-acetamidopropanamido)-12-benzyl-15-((S)-1-((4R,Show More⌵

    Mol. Formula:
    C116H168N28O32S2

    M.W.:
    2530.92

    8  activity values

    6   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA1689482

    Name:
    (3S,6S,9S,12S,15S)-3-((S)-2-acetamidopropanamido)-12-benzyl-15-((S)-1-((3S,Show More⌵

    Mol. Formula:
    C120H168N30O32S2

    M.W.:
    2606.98

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA1689481

    Name:
    (3S,6S,9S,12S,15S)-3-acetamido-12-benzyl-15-((S)-1-((3S,6R,11R,14S,17S,20S,Show More⌵

    Mol. Formula:
    C116H161N29O31S2

    M.W.:
    2521.87

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA1689479

    Name:
    (S)-4-((S)-2-acetamido-3-phenylpropanamido)-5-((S)-1-((3S,6R,11R,14S,17S,20Show More⌵

    Mol. Formula:
    C106H146N26O26S2

    M.W.:
    2264.62

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA1689477

    Name:
    (S)-4-((S)-1-((3S,6R,11R,14S,17S,20S,23S,26S,31aS)-3-((1H-imidazol-5-yl)metShow More⌵

    Mol. Formula:
    C99H139N23O25S3

    M.W.:
    2147.54

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA1689476

    Name:
    (S)-4-((S)-1-((3S,6R,11R,14S,17S,20S,23S,26S,31aS)-3-((1H-imidazol-5-yl)metShow More⌵

    Mol. Formula:
    C98H144N24O26S3

    M.W.:
    2170.57

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA1689475

    Name:
    (3S,6R,11R,14S,17S,20S,23S,26S,31aS)-3-((1H-imidazol-5-yl)methyl)-17-((1H-iShow More⌵

    Mol. Formula:
    C103H148N24O24S3

    M.W.:
    2202.66

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA1689474

    Name:
    (S)-4-((S)-1-((3S,6R,11R,14S,17S,20S,23S,26S,31aS)-3-((1H-imidazol-5-yl)metShow More⌵

    Mol. Formula:
    C102H144N24O26S3

    M.W.:
    2218.62

    3  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA1689473

    Name:
    (S)-4-((S)-1-((3S,6R,11R,14S,17S,20S,23S,26S,31aS)-3-((1H-imidazol-5-yl)metShow More⌵

    Mol. Formula:
    C103H147N23O25S3

    M.W.:
    2203.65

    3  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA1689472

    Name:
    (S)-4-((S)-1-((3S,6R,11R,14S,17S,20S,23S,26S,31aS)-3-((1H-imidazol-5-yl)metShow More⌵

    Mol. Formula:
    C96H143N23O26S3

    M.W.:
    2131.54

    3  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA1689471

    Name:
    (S)-4-((S)-1-((3S,6R,11R,14S,17S,20S,23S,26S,31aS)-3-((1H-imidazol-5-yl)metShow More⌵

    Mol. Formula:
    C102H144N24O26S3

    M.W.:
    2218.62

    3  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA1689470

    Name:
    (S)-4-((S)-1-((3S,6R,11R,14S,17S,20S,23S,26S,31aS)-3-((1H-imidazol-5-yl)metShow More⌵

    Mol. Formula:
    C103H146N24O25S3

    M.W.:
    2216.64

    4  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA1689469

    Name:
    (S)-4-((S)-1-((3S,6R,11R,14S,17S,20S,23S,26S,31aS)-3-((1H-imidazol-5-yl)metShow More⌵

    Mol. Formula:
    C101H142N24O26S3

    M.W.:
    2204.59

    3  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA1689468

    Name:
    (S)-4-((S)-1-((4R,7S,10S,13S,16S,19S,22S,25S,28R)-7-((1H-imidazol-5-yl)methShow More⌵

    Mol. Formula:
    C102H146N24O26S3

    M.W.:
    2220.63

    3  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA1689467

    Name:
    (S)-4-((S)-1-((3S,6R,11R,14S,17S,20S,23S,26S,31aS)-17-((1H-indol-3-yl)methyShow More⌵

    Mol. Formula:
    C101H146N22O26S3

    M.W.:
    2180.61

    3  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA1689466

    Name:
    (S)-4-((S)-1-((3S,6R,11R,14S,17S,20S,23S,26S,31aS)-3-((1H-imidazol-5-yl)metShow More⌵

    Mol. Formula:
    C99H139N23O25S3

    M.W.:
    2147.54

    4  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  17. ALA1689465

    Name:
    (S)-4-((S)-1-((3S,6R,11R,14S,17S,20S,23S,26S,31aS)-3-((1H-imidazol-5-yl)metShow More⌵

    Mol. Formula:
    C102H144N24O26S2

    M.W.:
    2186.55

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  18. ALA1689464

    Name:
    (S)-4-((S)-1-((3S,6R,11R,14S,17S,20S,23S,26S,31aS)-3-((1H-imidazol-5-yl)metShow More⌵

    Mol. Formula:
    C106H152N24O26S2

    M.W.:
    2242.66

    3  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  19. ALA1689463

    Name:
    (S)-4-((S)-1-((3S,6R,11R,14S,17S,20S,23S,26S,31aS)-3-((1H-imidazol-5-yl)metShow More⌵

    Mol. Formula:
    C102H144N24O26S3

    M.W.:
    2218.62

    7  activity values

    3   unique targets

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  20. ALA1689462

    Name:
    2-((2S,5R,8S,11S)-5-benzyl-11-(3-guanidinopropyl)-3,6,9,12,15-pentaoxo-8-(4Show More⌵

    Mol. Formula:
    C43H57N11O12

    M.W.:
    919.99

    2  activity values

    2   unique targets

    Type:
    Small molecule

    AlogP:
    -2.33

    Polar Surface Area:
    349.51

    HBA:
    12

    HBD:
    11

    #RO5 Violations:
    3

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
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