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  1. ALA5287844

    Name:
    1-[3-(2-carbamimidoylsulfanylethoxy)-4-chloro-1-oxo-isochromen-7-yl]-3-phenShow More

    Mol. Formula:
    C19H18BrClN4O4S

    M.W.:
    513.80

    Type:
    ---

    AlogP:
    4.10

    Polar Surface Area:
    130.44

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    6

    Passes Ro3:
    N

    QED Weighted:
    0.26

    DETAILS
  2. ALA4570979

    Name:
    [(3S)-3-acetamido-4-[[2-[[(1S)-2-[[(1S)-2-[[4-(2-amino-2-oxo-ethyl)-2-oxo-cShow More

    Mol. Formula:
    C46H49Cl2N9O10S

    M.W.:
    990.92

    Type:
    Unknown

    AlogP:
    2.79

    Polar Surface Area:
    312.99

    HBA:
    11

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    22

    Passes Ro3:
    N

    QED Weighted:
    0.02

    DETAILS
  3. ALA4565659

    Name:
    [(3S)-3-acetamido-4-[[2-[(2S)-2-[[(1S)-1-[[4-(2-amino-2-oxo-ethyl)-2-oxo-chShow More

    Mol. Formula:
    C38H49N9O10S

    M.W.:
    823.93

    Type:
    Unknown

    AlogP:
    -0.92

    Polar Surface Area:
    304.20

    HBA:
    11

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.02

    DETAILS
  4. ALA4535588

    Name:
    [(3S)-3-acetamido-4-[[2-[[(1S)-2-[[(1S)-2-[[4-(2-amino-2-oxo-ethyl)-2-oxo-cShow More

    Mol. Formula:
    C39H44FN9O9S

    M.W.:
    833.90

    Type:
    Unknown

    AlogP:
    0.05

    Polar Surface Area:
    303.76

    HBA:
    10

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  5. ALA4531056

    Name:
    (2S)-1-[2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]acetyl]-N-[(1S)-1-[Show More

    Mol. Formula:
    C32H45N9O8

    M.W.:
    683.77

    Type:
    Unknown

    AlogP:
    -0.83

    Polar Surface Area:
    271.91

    HBA:
    9

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  6. ALA4525826

    Name:
    methyl 4-[(3S)-3-[[2-[(2S)-2-[(1-diphenoxyphosphoryl-4-guanidinobutyl)carbaShow More

    Mol. Formula:
    C43H54N7O9P

    M.W.:
    843.92

    Type:
    Unknown

    AlogP:
    4.23

    Polar Surface Area:
    222.55

    HBA:
    10

    HBD:
    5

    #RO5 Violations:
    1

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  7. ALA4524384

    Name:
    (3S)-2-acetyl-N-[2-[(2S)-2-[[(1S)-1-[[4-(2-amino-2-oxoethyl)-2-oxochromen-7Show More

    Mol. Formula:
    C40H49N9O8

    M.W.:
    783.89

    Type:
    Unknown

    AlogP:
    0.76

    Polar Surface Area:
    263.12

    HBA:
    9

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  8. ALA4471598

    Name:
    (3S)-2-acetyl-N-[(1S)-1-[(2S)-2-[[(1S)-2-[[4-(2-amino-2-oxo-ethyl)-2-oxo-chShow More

    Mol. Formula:
    C53H56N10O8S

    M.W.:
    993.16

    Type:
    Unknown

    AlogP:
    4.65

    Polar Surface Area:
    276.01

    HBA:
    11

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.04

    DETAILS
  9. ALA4469669

    Name:
    [(3S)-3-acetamido-4-[[2-[[(1S)-2-[[(1S)-1-[[4-(2-amino-2-oxo-ethyl)-2-oxo-cShow More

    Mol. Formula:
    C42H49Cl2N9O10S

    M.W.:
    942.88

    Type:
    Unknown

    AlogP:
    1.51

    Polar Surface Area:
    312.99

    HBA:
    11

    HBD:
    9

    #RO5 Violations:
    3

    #Rotatable Bonds:
    23

    Passes Ro3:
    N

    QED Weighted:
    0.02

    DETAILS
  10. ALA4461341

    Name:
    (3S)-2-acetyl-N-[1-[(2S)-2-[[(1S)-1-[[4-(2-amino-2-oxo-ethyl)-2-oxo-chromenShow More

    Mol. Formula:
    C49H56N10O8S

    M.W.:
    945.12

    Type:
    Unknown

    AlogP:
    3.37

    Polar Surface Area:
    276.01

    HBA:
    11

    HBD:
    7

    #RO5 Violations:
    3

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  11. ALA4461274

    Name:
    (3S)-2-acetyl-N-[2-[(2S)-2-[[(1S)-2-[[4-(2-amino-2-oxo-ethyl)-2-oxo-chromenShow More

    Mol. Formula:
    C44H49N9O8

    M.W.:
    831.93

    Type:
    Unknown

    AlogP:
    2.04

    Polar Surface Area:
    263.12

    HBA:
    9

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  12. ALA4456174

    Name:
    (3S)-2-[6-[6-[3,3-dimethyl-2-[5-(1,3,3-trimethylindolin-2-ylidene)penta-1,3Show More

    Mol. Formula:
    C76H97N10O8P

    M.W.:
    1309.65

    Type:
    Unknown

    AlogP:
    ---

    Polar Surface Area:
    ---

    HBA:
    ---

    HBD:
    ---

    #RO5 Violations:
    na

    #Rotatable Bonds:
    ---

    Passes Ro3:
    ---

    QED Weighted:
    ---

    DETAILS
  13. ALA4455315

    Name:
    (2S)-1-[2-[[(2S,3S)-2-acetamido-3-methylpentanoyl]amino]acetyl]-N-[(1S)-1-[Show More

    Mol. Formula:
    C36H51N9O8

    M.W.:
    737.86

    Type:
    Unknown

    AlogP:
    0.33

    Polar Surface Area:
    271.91

    HBA:
    9

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    16

    Passes Ro3:
    N

    QED Weighted:
    0.05

    DETAILS
  14. ALA4449781

    Name:
    (2S)-1-[2-[[(2S,3S)-2-acetamido-3-methyl-pentanoyl]amino]acetyl]-N-[(1S)-2-Show More

    Mol. Formula:
    C40H51N9O8

    M.W.:
    785.90

    Type:
    Unknown

    AlogP:
    1.62

    Polar Surface Area:
    271.91

    HBA:
    9

    HBD:
    8

    #RO5 Violations:
    2

    #Rotatable Bonds:
    15

    Passes Ro3:
    N

    QED Weighted:
    0.06

    DETAILS
  15. ALA4439700

    Name:
    [(3S)-3-acetamido-4-[[2-[(2S)-2-[[(1S)-2-[[4-(2-amino-2-oxo-ethyl)-2-oxo-chShow More

    Mol. Formula:
    C42H49N9O10S

    M.W.:
    871.97

    Type:
    Unknown

    AlogP:
    0.37

    Polar Surface Area:
    304.20

    HBA:
    11

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    19

    Passes Ro3:
    N

    QED Weighted:
    0.03

    DETAILS
  16. ALA4436203

    Name:
    [(3S)-3-acetamido-4-[[2-[[(1S)-2-[[(1S)-1-[[4-(2-amino-2-oxo-ethyl)-2-oxo-cShow More

    Mol. Formula:
    C35H44FN9O9S

    M.W.:
    785.86

    Type:
    Unknown

    AlogP:
    -1.24

    Polar Surface Area:
    303.76

    HBA:
    10

    HBD:
    9

    #RO5 Violations:
    2

    #Rotatable Bonds:
    20

    Passes Ro3:
    N

    QED Weighted:
    0.02

    DETAILS
  17. ALA1160469

    Name:
    C-Amino-C-[4-((diphenoxy-phosphoryl)-{[1-(3-phenyl-propionyl)-pyrrolidine-2Show More

    Mol. Formula:
    C34H35N4O5P

    M.W.:
    610.65

    Type:
    Small molecule

    AlogP:
    6.06

    Polar Surface Area:
    134.81

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    12

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
  18. ALA1160468

    Name:
    C-Amino-C-[4-((diphenoxy-phosphoryl)-{[1-(3,3-diphenyl-propionyl)-pyrrolidiShow More

    Mol. Formula:
    C40H39N4O5P

    M.W.:
    686.75

    Type:
    Small molecule

    AlogP:
    7.65

    Polar Surface Area:
    134.81

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    13

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  19. ALA1160461

    Name:
    N-[(4-Carbamimidoyl-phenyl)-(diphenoxy-phosphoryl)-methyl]-succinamic acid

    Mol. Formula:
    C24H24N3O6P

    M.W.:
    481.45

    Type:
    Small molecule

    AlogP:
    4.30

    Polar Surface Area:
    151.80

    HBA:
    6

    HBD:
    4

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    11

    Passes Ro3:
    N

    QED Weighted:
    0.18

    DETAILS
  20. ALA1160459

    Name:
    [(4-Carbamimidoyl-phenyl)-(3-phenyl-acryloylamino)-methyl]-phosphonic acid Show More

    Mol. Formula:
    C29H26N3O4P

    M.W.:
    511.52

    Type:
    Small molecule

    AlogP:
    6.15

    Polar Surface Area:
    114.50

    HBA:
    5

    HBD:
    3

    #RO5 Violations:
    2

    #Rotatable Bonds:
    10

    Passes Ro3:
    N

    QED Weighted:
    0.10

    DETAILS
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