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  1. ALA5283805

    Name:
    (3S)-2-(3-sulfanylpropanoyl)-1,3,4,9-tetrahydropyr
    Show More

    Mol. Formula:
    C15H16N2O3S

    M.W.:
    304.37

    Type:
    ---

    AlogP:
    1.83

    Polar Surface Area:
    73.40

    HBA:
    3

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  2. ALA5282443

    Name:
    (2S,3S)-2-[[(2S)-2-[[(2S)-2-(benzyloxycarbonylamin
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    Mol. Formula:
    C29H35N5O6

    M.W.:
    549.63

    Type:
    ---

    AlogP:
    2.59

    Polar Surface Area:
    162.51

    HBA:
    6

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  3. ALA5281720

    Name:
    (4S,7S,12bR)-6-oxo-7-[(2-sulfanylacetyl)amino]-2,3
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    Mol. Formula:
    C17H20N2O4S

    M.W.:
    348.42

    Type:
    ---

    AlogP:
    1.16

    Polar Surface Area:
    86.71

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.72

    DETAILS
  4. ALA5279614

    Name:
    (2S)-2-[[(4S)-2-(carboxymethyl)-3-oxo-4,5-dihydro-
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    Mol. Formula:
    C22H24N2O5

    M.W.:
    396.44

    Type:
    ---

    AlogP:
    1.70

    Polar Surface Area:
    106.94

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  5. ALA5287967

    Name:
    (1S)-2-[(2S)-2-[[(1S)-1-carboxy-3-phenyl-propyl]am
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    Mol. Formula:
    C23H26N2O5

    M.W.:
    410.47

    Type:
    ---

    AlogP:
    2.26

    Polar Surface Area:
    106.94

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  6. ALA1161022

    Name:
    2-[(2S)-2-carboxypyrrolidin-1-yl]-1-methyl-2-oxoet
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    Mol. Formula:
    C8H15N2O6P

    M.W.:
    266.19

    Type:
    Small molecule

    AlogP:
    -0.87

    Polar Surface Area:
    127.17

    HBA:
    3

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.49

    DETAILS
  7. ALA2296619

    Name:
    2-[2-{4-2'-(Tetrazol-4-yl)-biphenyl}-piperazin-1-y
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    Mol. Formula:
    C22H28N6O2

    M.W.:
    408.51

    Type:
    Small molecule

    AlogP:
    1.66

    Polar Surface Area:
    90.40

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.52

    DETAILS
  8. ALA5275273

    Name:
    rac-(2S)-1-[(2S)-2-methyl-3-sulfanyl-propanoyl]-3,
    Show More

    Mol. Formula:
    C14H17NO3S

    M.W.:
    279.36

    Type:
    ---

    AlogP:
    1.98

    Polar Surface Area:
    57.61

    HBA:
    3

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    Y

    QED Weighted:
    0.83

    DETAILS
  9. ALA5272875

    Name:
    (S)-3-((S)-3-mercapto-2-methylpropanoyl)thiazolidi
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    Mol. Formula:
    C8H13NO3S2

    M.W.:
    235.33

    Type:
    ---

    AlogP:
    0.54

    Polar Surface Area:
    57.61

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.70

    DETAILS
  10. ALA5272537

    Name:
    (4S,7S,12bR)-7-[[(1S)-1-carboxy-3-phenyl-propyl]am
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    Mol. Formula:
    C25H28N2O5

    M.W.:
    436.51

    Type:
    ---

    AlogP:
    2.79

    Polar Surface Area:
    106.94

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    7

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  11. ALA5267769

    Name:
    (1S)-2-[(2S)-2-[[(1S)-1-carboxy-3-phenyl-propyl]am
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    Mol. Formula:
    C22H24N2O5

    M.W.:
    396.44

    Type:
    ---

    AlogP:
    2.22

    Polar Surface Area:
    106.94

    HBA:
    4

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    8

    Passes Ro3:
    N

    QED Weighted:
    0.63

    DETAILS
  12. ALA5266415

    Name:
    (2S)-4-methyl-2-[(6S,7S)-5-oxo-7-phenyl-6-[[(2S)-3
    Show More

    Mol. Formula:
    C26H32N2O5S

    M.W.:
    484.62

    Type:
    ---

    AlogP:
    3.11

    Polar Surface Area:
    95.94

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.48

    DETAILS
  13. ALA5220968

    Name:
    rac-((S)-1-carboxy-2-(1-(3,5-dichlorobenzyl)-1H-im
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    Mol. Formula:
    C19H23Cl2N3O4

    M.W.:
    428.32

    Type:
    ---

    AlogP:
    3.32

    Polar Surface Area:
    104.45

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  14. ALA5220314

    Name:
    (2R)-2-[[(1S)-1-carboxy-2-[3-[(3,5-dichlorophenyl)
    Show More

    Cas Number:
    305335-29-9

    Mol. Formula:
    C19H23Cl2N3O4

    M.W.:
    428.32

    Type:
    ---

    AlogP:
    3.32

    Polar Surface Area:
    104.45

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.54

    DETAILS
  15. ALA5207978

    Name:
    Aceneoherqueinone A

    Mol. Formula:
    C22H22O8

    M.W.:
    414.41

    Type:
    ---

    AlogP:
    1.26

    Polar Surface Area:
    138.20

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  16. ALA5177969

    Name:
    Aceneoherqueinone B

    Mol. Formula:
    C22H22O8

    M.W.:
    414.41

    Type:
    ---

    AlogP:
    1.26

    Polar Surface Area:
    138.20

    HBA:
    8

    HBD:
    3

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    2

    Passes Ro3:
    N

    QED Weighted:
    0.62

    DETAILS
  17. ALA5092782

    Name:

    Mol. Formula:
    C104H132N16O28

    M.W.:
    2054.28

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  18. ALA4462603

    Name:
    (3S)-3-acetamido-4-[[(2S)-2-carboxy-3-[1-[[(1S)-1-
    Show More

    Mol. Formula:
    C25H33N3O10

    M.W.:
    535.55

    Type:
    Unknown

    AlogP:
    0.25

    Polar Surface Area:
    219.43

    HBA:
    7

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  19. ALA4294217

    Name:
    (4S,7S,10aS)-4-[[(2S)-2-[[(1S)-2-[[(4S,7S,10aS)-7-
    Show More

    Mol. Formula:
    C38H46N4O8S4

    M.W.:
    815.07

    Type:
    Small molecule

    AlogP:
    4.42

    Polar Surface Area:
    173.42

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.21

    DETAILS
  20. ALA4248427

    Name:
    (R)-1-((S)-3-mercapto-2-methylpropanoyl)-3,3-dimet
    Show More

    Mol. Formula:
    C10H19NO3SSi

    M.W.:
    261.42

    Type:
    Small molecule

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
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