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  1. ALA2372422

    Name:
    [2-({1-[19-Amino-13-(4-azido-benzyl)-10-(2-carbamo
    Show More

    Mol. Formula:
    C46H64N18O12S2

    M.W.:
    1125.27

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA2372421

    Name:
    [2-({1-[19-Amino-13-(4-azido-benzyl)-10-(2-carbamo
    Show More

    Mol. Formula:
    C46H64N18O12S2

    M.W.:
    1125.27

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  3. ALA2372420

    Name:
    1-[13-Benzyl-7-carbamoylmethyl-10-isopropyl-16-(4-
    Show More

    Mol. Formula:
    C53H70N12O13S2

    M.W.:
    1147.35

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA2372419

    Name:
    1-[16-(4-Azido-benzyl)-13-benzyl-7-carbamoylmethyl
    Show More

    Mol. Formula:
    C53H70N14O11S2

    M.W.:
    1143.36

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA2372418

    Name:
    [2-({1-[19-Amino-10-(2-carbamoyl-ethyl)-7-carbamoy
    Show More

    Mol. Formula:
    C46H64N16O14S2

    M.W.:
    1129.25

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA2372417

    Name:
    [2-({1-[19-Amino-10-(2-carbamoyl-ethyl)-7-carbamoy
    Show More

    Mol. Formula:
    C46H64N16O14S2

    M.W.:
    1129.25

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  7. ALA2372416

    Name:
    cyclo(Depa-Phe(N3)-Phe-Val-Asn-Cys)-Pro-Lys-D-Tyr-
    Show More

    Mol. Formula:
    C57H78N14O11S2

    M.W.:
    1199.47

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  8. ALA2372415

    Name:
    cyclo(Ppa-Phe(NO2)-Phe-Val-Asn-Cys)-Pro-Lys-D-Tyr-
    Show More

    Mol. Formula:
    C57H76N12O13S2

    M.W.:
    1201.44

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  9. ALA2372414

    Name:
    cyclo(Ppa-Phe(N3)-Phe-Val-Asn-Cys)-Pro-Lys-D-Tyr-N
    Show More

    Mol. Formula:
    C57H76N14O11S2

    M.W.:
    1197.46

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  10. ALA2115369

    Name:
    125I-cyclo(Ppa-Tyr(OMe)-Phe-Val-Asn-Cys)-Pro-Lys-D
    Show More

    Mol. Formula:
    C58H79N11O12S2

    M.W.:
    1186.47

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  11. ALA2115368

    Name:
    cyclo(Dmpa-Phe(NO2)-Phe-Val-Asn-Cys)-Pro-Lys-D-Tyr
    Show More

    Mol. Formula:
    C55H74N12O13S2

    M.W.:
    1175.40

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA2115365

    Name:
    125I-cyclo(Depa-Phe(NO2)-Phe-Val-Asn-Cys)-Pro-Lys-
    Show More

    Mol. Formula:
    C57H78N12O13S2

    M.W.:
    1203.46

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA2115364

    Name:
    cyclo(Dmpa-Phe(N3)-Phe-Val-Asn-Cys)-Pro-Lys-D-Tyr-
    Show More

    Mol. Formula:
    C55H74N14O11S2

    M.W.:
    1171.42

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA2028984

    Name:
    Apac-D-Tyr(OEt)-Phe-Val-Asn-Abu-Pro-Arg-Arg-NH2

    Mol. Formula:
    C57H82N16O12

    M.W.:
    1183.38

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA2028983

    Name:
    cyclo(Ppa-Tyr-Phe-Gln-Asn-Cys)-MeAla-Arg-Lys(N3PhC
    Show More

    Mol. Formula:
    C60H83N19O12S2

    M.W.:
    1326.58

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA1819439

    Name:
    (2S)-1-((4R,7S,10S,13S,16S,19R)-7-(2-amino-2-oxoet
    Show More

    Mol. Formula:
    C45H69N13O13S2

    M.W.:
    1064.26

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  17. ALA1794053

    Name:
    2-Methyl-furan-3-carboxylic acid [4-({2-[4-([1,4']
    Show More

    Mol. Formula:
    C18H12Br2ClN3O2S

    M.W.:
    529.64

    Type:
    Small molecule

    AlogP:
    5.12

    Polar Surface Area:
    88.24

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.43

    DETAILS
  18. ALA1774022

    Name:
    endo-1-(4-chlorophenyl)-N-((R)-3-(4-chlorophenyl)-
    Show More

    Mol. Formula:
    C27H31Cl2N3O2

    M.W.:
    500.47

    Type:
    Small molecule

    AlogP:
    4.49

    Polar Surface Area:
    61.44

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.59

    DETAILS
  19. ALA1774021

    Name:
    endo-2-(4-chlorophenyl)-N-((R)-3-(4-chlorophenyl)-
    Show More

    Mol. Formula:
    C27H33Cl2N3O2

    M.W.:
    502.49

    Type:
    Small molecule

    AlogP:
    4.74

    Polar Surface Area:
    61.44

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.58

    DETAILS
  20. ALA1774020

    Name:
    (R)-endo-3-(4-chlorophenyl)-2-(2-(4-methoxyphenyl)
    Show More

    Mol. Formula:
    C26H32ClN3O3

    M.W.:
    470.01

    Type:
    Small molecule

    AlogP:
    3.36

    Polar Surface Area:
    70.67

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
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