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  1. ALA4875696

    Name:
    (3S,6S,9S,12S,15S,16S)-3-amino-15-((S)-3-((S)-2-((
    Show More

    Mol. Formula:
    C54H73N11O13

    M.W.:
    1084.24

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  2. ALA4873899

    Name:
    (S)-2-((S)-1-((S)-2-((6S,9S,12S,15S,16S)-1,6-diami
    Show More

    Mol. Formula:
    C50H68N10O10

    M.W.:
    969.15

    Type:
    Unknown

    AlogP:
    1.14

    Polar Surface Area:
    322.70

    HBA:
    11

    HBD:
    11

    #RO5 Violations:
    3

    #Rotatable Bonds:
    22

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  3. ALA4873167

    Name:
    (3S,6S,9S,12S,15S,16S)-3-amino-15-((S)-3-((S)-2-((
    Show More

    Mol. Formula:
    C54H73N11O13

    M.W.:
    1084.24

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  4. ALA4872735

    Name:
    NA

    Mol. Formula:
    C53H73N11O9

    M.W.:
    1008.23

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  5. ALA5283862

    Name:
    1-benzoyl-2-(hydroxymethyl)-1H-indole-3-carboxylic
    Show More

    Mol. Formula:
    C17H13NO4

    M.W.:
    295.29

    Type:
    ---

    AlogP:
    2.52

    Polar Surface Area:
    79.53

    HBA:
    4

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.78

    DETAILS
  6. ALA5282200

    Name:
    2-(hydroxymethyl)-1-(4-methylbenzenesulfonyl)-1H-i
    Show More

    Mol. Formula:
    C17H15NO5S

    M.W.:
    345.38

    Type:
    ---

    AlogP:
    2.38

    Polar Surface Area:
    96.60

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    4

    Passes Ro3:
    N

    QED Weighted:
    0.76

    DETAILS
  7. ALA5289070

    Name:
    2-(hydroxymethyl)-1-methanesulfonyl-1H-indole-3-ca
    Show More

    Mol. Formula:
    C11H11NO5S

    M.W.:
    269.28

    Type:
    ---

    AlogP:
    0.64

    Polar Surface Area:
    96.60

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    3

    Passes Ro3:
    N

    QED Weighted:
    0.85

    DETAILS
  8. ALA5287876

    Name:
    2-butyl-1-methanesulfonyl-1H-indole-3-carboxylic a
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    Mol. Formula:
    C14H17NO4S

    M.W.:
    295.36

    Type:
    ---

    AlogP:
    2.49

    Polar Surface Area:
    76.37

    HBA:
    4

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.92

    DETAILS
  9. ALA4861538

    Name:
    NA

    Mol. Formula:
    C49H65N11O9

    M.W.:
    952.13

    Type:
    Unknown

    AlogP:
    1.04

    Polar Surface Area:
    327.05

    HBA:
    10

    HBD:
    12

    #RO5 Violations:
    2

    #Rotatable Bonds:
    23

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  10. ALA3735804

    Name:
    (R)-4'-[[4-methyl-6-((2-phenylpropyl)carbamoyl)-2-
    Show More

    Mol. Formula:
    C35H35N3O3S

    M.W.:
    577.75

    Type:
    Small molecule

    AlogP:
    7.79

    Polar Surface Area:
    84.22

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  11. ALA3734763

    Name:
    (S)-4'-[[4-methyl-6-((2-phenylpropyl)carbamoyl)-2-
    Show More

    Mol. Formula:
    C35H35N3O3S

    M.W.:
    577.75

    Type:
    Small molecule

    AlogP:
    7.79

    Polar Surface Area:
    84.22

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.16

    DETAILS
  12. ALA3735558

    Name:
    (R)-N-(2-phenylpropyl)-1-[2'-(1H-tetrazol-5-yl)-1,
    Show More

    Mol. Formula:
    C34H33N7OS

    M.W.:
    587.75

    Type:
    Small molecule

    AlogP:
    6.89

    Polar Surface Area:
    101.38

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  13. ALA3735227

    Name:
    (S)-N-(2-phenylpropyl)-1-[2'-(1H-tetrazol-5-yl)-1,
    Show More

    Mol. Formula:
    C34H33N7OS

    M.W.:
    587.75

    Type:
    Small molecule

    AlogP:
    6.89

    Polar Surface Area:
    101.38

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  14. ALA3736202

    Name:
    (R)-4'-[[4-methyl-6-((2-phenylpropyl)carbamoyl)-2-
    Show More

    Mol. Formula:
    C34H33N3O3S

    M.W.:
    563.72

    Type:
    Small molecule

    AlogP:
    7.40

    Polar Surface Area:
    84.22

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  15. ALA3735390

    Name:
    (S)-4'-[[4-methyl-6-((2-phenylpropyl)carbamoyl)-2-
    Show More

    Mol. Formula:
    C34H33N3O3S

    M.W.:
    563.72

    Type:
    Small molecule

    AlogP:
    7.40

    Polar Surface Area:
    84.22

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.17

    DETAILS
  16. ALA3735940

    Name:
    (R)-N-(2-phenylpropyl)-1-[2'-(1H-tetrazol-5-yl)-1,
    Show More

    Mol. Formula:
    C33H31N7OS

    M.W.:
    573.73

    Type:
    Small molecule

    AlogP:
    6.50

    Polar Surface Area:
    101.38

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  17. ALA3736346

    Name:
    (S)-N-(2-phenylpropyl)-1-[2'-(1H-tetrazol-5-yl)-1,
    Show More

    Mol. Formula:
    C33H31N7OS

    M.W.:
    573.73

    Type:
    Small molecule

    AlogP:
    6.50

    Polar Surface Area:
    101.38

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  18. ALA3735653

    Name:
    (R)-4'-[[4-methyl-6-((2-phenylpropyl)carbamoyl)-2-
    Show More

    Mol. Formula:
    C33H31N3O3S

    M.W.:
    549.70

    Type:
    Small molecule

    AlogP:
    7.01

    Polar Surface Area:
    84.22

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  19. ALA3736338

    Name:
    (S)-4'-[[4-methyl-6-((2-phenylpropyl)carbamoyl)-2-
    Show More

    Mol. Formula:
    C33H31N3O3S

    M.W.:
    549.70

    Type:
    Small molecule

    AlogP:
    7.01

    Polar Surface Area:
    84.22

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  20. ALA3736451

    Name:
    (S)-4'-[[4-methyl-6-((2-phenylpropyl)carbamoyl)-2-
    Show More

    Mol. Formula:
    C34H33N3O4

    M.W.:
    547.66

    Type:
    Small molecule

    AlogP:
    6.69

    Polar Surface Area:
    93.45

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
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