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  1. ALA5193615

    Name:

    Mol. Formula:
    C19H14O12

    M.W.:
    434.31

    Type:
    ---

    AlogP:
    -0.58

    Polar Surface Area:
    200.26

    HBA:
    12

    HBD:
    6

    #RO5 Violations:
    2

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.13

    DETAILS
  2. ALA4216867

    Name:
    6,16-O-dideacetylhelvolic acid 21,16-lactone

    Mol. Formula:
    C29H38O5

    M.W.:
    466.62

    Type:
    Small molecule

    AlogP:
    4.74

    Polar Surface Area:
    80.67

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  3. ALA4203899

    Name:
    24-epi-6beta,16beta-diacetoxy-25-hydroxy-3,7-dioxo
    Show More

    Mol. Formula:
    C33H44O9

    M.W.:
    584.71

    Type:
    Small molecule

    AlogP:
    4.05

    Polar Surface Area:
    133.27

    HBA:
    9

    HBD:
    1

    #RO5 Violations:
    1

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  4. ALA4203195

    Name:
    16-O-propionyl-16-O-deacetylhelvolic acid

    Mol. Formula:
    C34H46O8

    M.W.:
    582.73

    Type:
    Small molecule

    AlogP:
    5.79

    Polar Surface Area:
    124.04

    HBA:
    7

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  5. ALA4299442

    Name:
    amylolysin

    Mol. Formula:
    C140H206N42O41S5

    M.W.:
    3293.78

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  6. ALA4101527

    Name:
    1-(2-(1-(3,5-di-tert-butylbenzyl)-1H-1,2,3-triazol
    Show More

    Mol. Formula:
    C20H33ClN6

    M.W.:
    392.98

    Type:
    Small molecule

    AlogP:
    2.95

    Polar Surface Area:
    92.61

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.57

    DETAILS
  7. ALA4093806

    Name:
    3-(1-(3,5-di-tert-butylbenzyl)-1H-1,2,3-triazol-4-
    Show More

    Mol. Formula:
    C22H37ClN4

    M.W.:
    393.02

    Type:
    Small molecule

    AlogP:
    4.42

    Polar Surface Area:
    33.95

    HBA:
    4

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.77

    DETAILS
  8. ALA4092842

    Name:
    1-(3-(1-(3,5-di-tert-butylbenzyl)-1H-1,2,3-triazol
    Show More

    Mol. Formula:
    C21H35ClN6

    M.W.:
    407.01

    Type:
    Small molecule

    AlogP:
    3.34

    Polar Surface Area:
    92.61

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.41

    DETAILS
  9. ALA4087739

    Name:
    2-(1-(3,5-di-tert-butylbenzyl)-1H-1,2,3-triazol-4-
    Show More

    Mol. Formula:
    C19H31ClN4

    M.W.:
    350.94

    Type:
    Small molecule

    AlogP:
    3.42

    Polar Surface Area:
    56.73

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.94

    DETAILS
  10. ALA1923658

    Name:
    Hexadecyl Uridin-5'-yl 2-([3R,4R]-3,4-Dihydroxypyr
    Show More

    Mol. Formula:
    C31H56N3O10P

    M.W.:
    661.77

    Type:
    Small molecule

    AlogP:
    2.90

    Polar Surface Area:
    183.78

    HBA:
    12

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    23

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  11. ALA1255992

    Name:
    3-[(3R,6S,9S,12S,15S,21R,24S,27S,30S,33S)-27-(2-ca
    Show More

    Mol. Formula:
    C60H86I2N12O12

    M.W.:
    1421.23

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  12. ALA1255991

    Name:
    3-[(3R,6S,9S,12S,15S,21R,24S,27S,30S,33S)-27-(2-ca
    Show More

    Mol. Formula:
    C60H86F2N12O12

    M.W.:
    1205.42

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA1255990

    Name:
    3-[(3R,6S,9S,12S,15S,21R,24S,27S,30S,33S)-27-(2-ca
    Show More

    Mol. Formula:
    C56H84N12O12S2

    M.W.:
    1181.49

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  14. ALA1255989

    Name:
    3-[(3R,6S,9S,12S,15S,21R,24S,27S,30S,33S)-27-(2-ca
    Show More

    Mol. Formula:
    C58H84N12O12

    M.W.:
    1141.38

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  15. ALA1255988

    Name:
    3-[(3R,6S,9S,12S,15S,21R,24S,27S,30S,33S)-27-(2-ca
    Show More

    Mol. Formula:
    C64H90N14O12

    M.W.:
    1247.51

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  16. ALA1255987

    Name:
    3-[(3R,6S,9S,12S,15S,21R,24S,27S,30S,33S)-27-(2-ca
    Show More

    Mol. Formula:
    C60H88N12O14

    M.W.:
    1201.43

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  17. ALA1255986

    Name:
    3-[(3S,6S,9S,12S,15S,21S,24S,27S,30S,33S)-3,21-dib
    Show More

    Mol. Formula:
    C60H88N12O12

    M.W.:
    1169.44

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  18. ALA1255985

    Name:
    3-[(3S,6S,9S,12S,15S,21S,24S,27S,30S,33S)-3,21-dib
    Show More

    Mol. Formula:
    C60H88N12O12

    M.W.:
    1169.44

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  19. ALA1255984

    Name:
    3-[(3S,6S,9S,12S,15S,21S,24S,27S,30S,33S)-3,21-dib
    Show More

    Mol. Formula:
    C60H88N12O12

    M.W.:
    1169.44

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  20. ALA1255983

    Name:
    3-[(3S,6S,9S,12S,15S,21S,24S,27S,30S,33S)-3,21-dib
    Show More

    Mol. Formula:
    C61H90N12O12

    M.W.:
    1183.46

    Type:
    Protein

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
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