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  1. ALA1077192

    Name:
    (S)-3-(4-(3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2
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    Mol. Formula:
    C36H45F3N4O10S

    M.W.:
    782.83

    Type:
    Small molecule

    AlogP:
    4.08

    Polar Surface Area:
    183.64

    HBA:
    11

    HBD:
    4

    #RO5 Violations:
    2

    #Rotatable Bonds:
    23

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  2. ALA1077191

    Name:
    (S)-3-(3-(20-amino-3,6,9,12,15,18-hexaoxaicosanami
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    Mol. Formula:
    C41H56F3N5O12S

    M.W.:
    899.98

    Type:
    Small molecule

    AlogP:
    3.44

    Polar Surface Area:
    228.12

    HBA:
    14

    HBD:
    5

    #RO5 Violations:
    2

    #Rotatable Bonds:
    31

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  3. ALA4548360

    Name:
    (S)-3-{2-[(3R,5S)-1-Cyclopentylcarbamoyl-5-(pyridi
    Show More

    Mol. Formula:
    C30H42N6O7S

    M.W.:
    630.77

    Type:
    Unknown

    AlogP:
    2.08

    Polar Surface Area:
    179.06

    HBA:
    8

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.22

    DETAILS
  4. ALA4550545

    Name:
    (2S,4R)-4-{[(S)-2-Carboxy-2-(2,4,6-trimethyl-benze
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    Mol. Formula:
    C31H38N6O8S

    M.W.:
    654.75

    Type:
    Unknown

    AlogP:
    2.16

    Polar Surface Area:
    189.15

    HBA:
    10

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.20

    DETAILS
  5. ALA4549788

    Name:
    5-{[(2S,4R)-4-{[(S)-2-Carboxy-2-(2,4,6-trimethyl-b
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    Mol. Formula:
    C45H44N6O11S2

    M.W.:
    909.01

    Type:
    Unknown

    AlogP:
    5.11

    Polar Surface Area:
    249.73

    HBA:
    12

    HBD:
    7

    #RO5 Violations:
    4

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  6. ALA4549085

    Name:
    (2S,4R)-4-{[(S)-2-Carboxy-2-(2-chloro-benzoylamino
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    Mol. Formula:
    C30H32ClN5O7

    M.W.:
    610.07

    Type:
    Unknown

    AlogP:
    2.94

    Polar Surface Area:
    159.19

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  7. ALA4756602

    Name:
    (S)-3-(2-(3-guanidinobenzoyl)hydrazinecarboxamido)
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    Mol. Formula:
    C23H28N8O7S

    M.W.:
    560.59

    Type:
    Unknown

    AlogP:
    -0.64

    Polar Surface Area:
    235.91

    HBA:
    7

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  8. ALA4756339

    Name:
    (2S)-3-[[2-[[3-[[2-(adamantane-1-carbonylamino)ace
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    Mol. Formula:
    C37H47N9O9S

    M.W.:
    793.90

    Type:
    Unknown

    AlogP:
    0.53

    Polar Surface Area:
    282.08

    HBA:
    9

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.09

    DETAILS
  9. ALA4524794

    Name:
    (2S,4R)-4-{[(S)-2-Carboxy-2-(2,2-dimethyl-butyryla
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    Mol. Formula:
    C29H39N5O7

    M.W.:
    569.66

    Type:
    Unknown

    AlogP:
    2.41

    Polar Surface Area:
    159.19

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    14

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  10. ALA5276220

    Name:
    (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2
    Show More

    Mol. Formula:
    C37H62N6O7

    M.W.:
    702.94

    Type:
    ---

    AlogP:
    2.52

    Polar Surface Area:
    208.82

    HBA:
    7

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  11. ALA4750706

    Name:
    (S)-3-(2-(3-(4-aminobutanamido)-5-guanidinobenzami
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    Mol. Formula:
    C28H37N9O8S

    M.W.:
    659.73

    Type:
    Unknown

    AlogP:
    -1.06

    Polar Surface Area:
    279.00

    HBA:
    9

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.08

    DETAILS
  12. ALA4794201

    Name:
    (2S)-3-[[2-[[3-[5-(adamantane-1-carbonylamino)pent
    Show More

    Mol. Formula:
    C40H53N9O9S

    M.W.:
    835.98

    Type:
    Unknown

    AlogP:
    1.70

    Polar Surface Area:
    282.08

    HBA:
    9

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    18

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  13. ALA4556772

    Name:
    (2S,4R)-4-{[(S)-2-Carboxy-2-(4-phenyl-butyrylamino
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    Mol. Formula:
    C33H39N5O7

    M.W.:
    617.70

    Type:
    Unknown

    AlogP:
    3.00

    Polar Surface Area:
    159.19

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.19

    DETAILS
  14. ALA4798438

    Name:
    (S)-3-(2-(3-guanidinobenzamido)acetamido)-2-((S)-1
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    Mol. Formula:
    C24H29N7O7S

    M.W.:
    559.61

    Type:
    Unknown

    AlogP:
    -0.74

    Polar Surface Area:
    223.88

    HBA:
    7

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.14

    DETAILS
  15. ALA4555420

    Name:
    (2S,4R)-4-[((S)-2-Carboxy-2-methanesulfonylamino-e
    Show More

    Mol. Formula:
    C24H31N5O8S

    M.W.:
    549.61

    Type:
    Unknown

    AlogP:
    0.41

    Polar Surface Area:
    176.26

    HBA:
    9

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.27

    DETAILS
  16. ALA4555363

    Name:
    (2S,4R)-4-[((S)-1-Carboxymethyl-2-p-tolyl-ethylcar
    Show More

    Mol. Formula:
    C31H36N4O6

    M.W.:
    560.65

    Type:
    Unknown

    AlogP:
    3.80

    Polar Surface Area:
    130.09

    HBA:
    7

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.29

    DETAILS
  17. ALA4764427

    Name:
    (S)-3-(3-(4-guanidinobutyl)ureido)-2-((S)-1-(pheny
    Show More

    Mol. Formula:
    C20H31N7O6S

    M.W.:
    497.58

    Type:
    Unknown

    AlogP:
    -1.03

    Polar Surface Area:
    206.81

    HBA:
    6

    HBD:
    7

    #RO5 Violations:
    1

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.11

    DETAILS
  18. ALA4778229

    Name:
    (2S)-3-[[2-[[3-[4-(adamantane-1-carbonylamino)buta
    Show More

    Mol. Formula:
    C39H51N9O9S

    M.W.:
    821.96

    Type:
    Unknown

    AlogP:
    1.31

    Polar Surface Area:
    282.08

    HBA:
    9

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  19. ALA4758256

    Name:
    (S)-3-(3-(5-guanidinopentyl)ureido)-2-((S)-1-(phen
    Show More

    Mol. Formula:
    C21H33N7O6S

    M.W.:
    511.61

    Type:
    Unknown

    AlogP:
    -0.64

    Polar Surface Area:
    206.81

    HBA:
    6

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  20. ALA4537764

    Name:
    (2S,4R)-4-{[(S)-2-Carboxy-2-(2,6-dimethyl-benzoyla
    Show More

    Mol. Formula:
    C32H37N5O7

    M.W.:
    603.68

    Type:
    Unknown

    AlogP:
    2.91

    Polar Surface Area:
    159.19

    HBA:
    8

    HBD:
    4

    #RO5 Violations:
    1

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
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