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  1. ALA5269970

    Name:
    (4S)-4-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-guanidino-pentanoyl]pyrrolShow More

    Mol. Formula:
    C58H89N15O14S

    M.W.:
    1252.51

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA5268460

    Name:
    (4S)-4-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-guanidino-pentanoyl]pyrrolShow More

    Mol. Formula:
    C60H91N15O14S

    M.W.:
    1278.55

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA5268296

    Name:
    (4S)-4-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-guanidino-pentanoyl]pyrrolShow More

    Mol. Formula:
    C59H89N15O14S

    M.W.:
    1264.52

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA5273060

    Name:
    (4S)-4-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-guanidino-pentanoyl]pyrrolShow More

    Mol. Formula:
    C59H89N15O14S

    M.W.:
    1264.52

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA5282996

    Name:
    (4S)-4-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-guanidino-pentanoyl]pyrrolShow More

    Mol. Formula:
    C64H91N15O14S

    M.W.:
    1326.59

    Type:
    ---

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA4127872

    Name:
    H-Arg-D-Pro-Lys-Pro-Gln-Gln-D-Phe-OH

    Mol. Formula:
    C41H65N13O10

    M.W.:
    900.05

    Type:
    Small molecule

    AlogP:
    -3.51

    Polar Surface Area:
    394.44

    HBA:
    12

    HBD:
    12

    #RO5 Violations:
    3

    #Rotatable Bonds:
    27

    Passes Ro3:
    N

    QED Weighted:
    0.02

    DETAILS
  7. ALA3138259

    Name:
    1-(1-ethynyl)-1-hydroxy-16a,18a-dimethyl-(1R,5aS,16aS,18aS)-1,2,3,3a,3b,4,5Show More

    Mol. Formula:
    C30H33N3O2

    M.W.:
    467.61

    Type:
    Small molecule

    AlogP:
    4.56

    Polar Surface Area:
    67.49

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    ---

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  8. ALA2397481

    Name:
    (S)-N1-((S)-5-amino-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-1,5-dioxShow More

    Mol. Formula:
    C41H66N14O9

    M.W.:
    899.07

    Type:
    Protein

    AlogP:
    -4.11

    Polar Surface Area:
    400.23

    HBA:
    12

    HBD:
    12

    #RO5 Violations:
    3

    #Rotatable Bonds:
    27

    Passes Ro3:
    N

    QED Weighted:
    0.02

    DETAILS
  9. ALA2372525

    Name:
    Arg-Pro-Lys-Pro-Gln-Gln-Phe-Tic-Gly-Leu-Met

    Mol. Formula:
    C64H98N18O13S

    M.W.:
    1359.67

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA2372521

    Name:
    Arg-Pro-Lys-Pro-Gln-Gln-Phe-(2S,3S)Ing-Flg-Leu-Met

    Mol. Formula:
    C71H102N18O13S

    M.W.:
    1447.78

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA2372519

    Name:
    Arg-Pro-Lys-Pro-Gln-Gln-(2S,3S)Bfi-Phe-Gly-Leu-Met

    Mol. Formula:
    C69H102N18O13S

    M.W.:
    1423.75

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA2372518

    Name:
    Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Pro-Leu-Met

    Mol. Formula:
    C66H102N18O13S

    M.W.:
    1387.72

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA2372517

    Name:
    Arg-Pro-Lys-Pro-Gln-Gln-Phe-Dip-Pro-Leu-Met

    Mol. Formula:
    C72H106N18O13S

    M.W.:
    1463.82

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA2372516

    Name:
    Arg-Pro-Lys-Pro-Gln-Gln-Phe-Flg-Pro-Leu-Met

    Mol. Formula:
    C72H104N18O13S

    M.W.:
    1461.80

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA2372444

    Name:
    Arg-Pro-Lys-Pro-Gln-Gln-Tic-Phe-Gly-Leu-Met

    Mol. Formula:
    C64H98N18O13S

    M.W.:
    1359.67

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA2372339

    Name:
    2-Amino-pentanedioic acid 5-amide 1-({1-[1-({[1-(1-carbamoyl-3-methylsulfanShow More

    Mol. Formula:
    C36H52N8O7S

    M.W.:
    740.93

    Type:
    Protein

    AlogP:
    -0.60

    Polar Surface Area:
    257.70

    HBA:
    9

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    23

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  17. ALA2370874

    Name:
    pGlu-Ala-Asp-Pro-Asn-Lys-Phe-Tyr-Gly-Leu-Met-NH2

    Mol. Formula:
    C58H84N14O16S

    M.W.:
    1265.46

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  18. ALA2370873

    Name:
    pGlu-Pro-Ser-Lys-Asp-Ala-Phe-lle-Gly-Leu-Met-NH2

    Mol. Formula:
    C54H85N13O15S

    M.W.:
    1188.42

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  19. ALA2304118

    Name:
    N-alpha-Z-Arg-Pro-N-Epsolon-Z-Lys-Pro-Gln-Gln-D-Trp-D-Trp-D-Trp-D-Leu-D-Met

    Mol. Formula:
    C74H105N19O14S

    M.W.:
    1516.84

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  20. ALA2115547

    Name:
    Substance P analogue

    Mol. Formula:
    C63H98N18O13S

    M.W.:
    1347.66

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
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