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  1. ALA5188502

    Name:
    (S)-N-(Thiophen-2-ylmethyl)-1-(3,5-dichlorobenzoyl)-4-(isoquinoline-4-carboShow More

    Mol. Formula:
    C26H22Cl2N4O2S

    M.W.:
    525.46

    Type:
    ---

    AlogP:
    5.25

    Polar Surface Area:
    65.54

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    2

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  2. ALA5174111

    Name:
    (S)-N-(Thiophen-2-ylmethyl)-1-(3,4-dichlorobenzoyl)-4-nicotinoylpiperazine-Show More

    Mol. Formula:
    C22H20Cl2N4O2S

    M.W.:
    475.40

    Type:
    ---

    AlogP:
    4.10

    Polar Surface Area:
    65.54

    HBA:
    5

    HBD:
    1

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.60

    DETAILS
  3. ALA4782926

    Name:
    (4S)-4-[[(2S)-2-acetamido-3-carboxy-propanoyl]amino]-5-[[(1S)-1-[[(1S)-1-(cShow More

    Mol. Formula:
    C21H30N4O12

    M.W.:
    530.49

    Type:
    Unknown

    AlogP:
    -2.82

    Polar Surface Area:
    262.44

    HBA:
    9

    HBD:
    7

    #RO5 Violations:
    2

    #Rotatable Bonds:
    17

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  4. ALA4751195

    Name:
    (4S)-4-[[(2S)-2-acetamido-3-carboxy-propanoyl]amino]-5-[[(1S)-1-[[(1S)-1-(cShow More

    Mol. Formula:
    C36H45N7O12

    M.W.:
    767.79

    Type:
    Unknown

    AlogP:
    0.97

    Polar Surface Area:
    286.67

    HBA:
    12

    HBD:
    8

    #RO5 Violations:
    3

    #Rotatable Bonds:
    21

    Passes Ro3:
    N

    QED Weighted:
    0.07

    DETAILS
  5. ALA4547897

    Name:
    Cyclo[N-methyloxy-2-[(3,4,5-trimethyloxy)phenylmethylene]glycylprolyl]

    Mol. Formula:
    C18H22N2O6

    M.W.:
    362.38

    Type:
    Unknown

    AlogP:
    1.45

    Polar Surface Area:
    77.54

    HBA:
    6

    HBD:
    ---

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    5

    Passes Ro3:
    N

    QED Weighted:
    0.74

    DETAILS
  6. ALA4228922

    Name:
    (S)-3-(1-(4-chlorobenzoyl)piperidine-4-carboxamido)-4-oxo-5-(2,3,5,6-tetrafShow More

    Mol. Formula:
    C24H21ClF4N2O6

    M.W.:
    544.89

    Type:
    Small molecule

    AlogP:
    3.36

    Polar Surface Area:
    113.01

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  7. ALA4228658

    Name:
    (S)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)-3-(1-(thiophene-2-carbonyl)piperidShow More

    Mol. Formula:
    C22H20F4N2O6S

    M.W.:
    516.47

    Type:
    Small molecule

    AlogP:
    2.76

    Polar Surface Area:
    113.01

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.39

    DETAILS
  8. ALA4228603

    Name:
    (S)-3-(1-(benzo[d]isoxazole-3-carbonyl)piperidine-4-carboxamido)-4-oxo-5-(2Show More

    Mol. Formula:
    C25H21F4N3O7

    M.W.:
    551.45

    Type:
    Small molecule

    AlogP:
    2.84

    Polar Surface Area:
    139.04

    HBA:
    7

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.31

    DETAILS
  9. ALA4228543

    Name:
    (S)-3-(1-((4-chlorophenoxy)carbonyl)piperidine-4-carboxamido)-4-oxo-5-(2,3,Show More

    Mol. Formula:
    C24H21ClF4N2O7

    M.W.:
    560.88

    Type:
    Small molecule

    AlogP:
    3.71

    Polar Surface Area:
    122.24

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.35

    DETAILS
  10. ALA4228438

    Name:
    (S)-3-(1-(3,3-difluorocyclobutanecarbonyl)piperidine-4-carboxamido)-4-oxo-5Show More

    Mol. Formula:
    C22H22F6N2O6

    M.W.:
    524.41

    Type:
    Small molecule

    AlogP:
    2.43

    Polar Surface Area:
    113.01

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.38

    DETAILS
  11. ALA4228386

    Name:
    (S)-3-(1-(cyclopropanecarbonyl)piperidine-4-carboxamido)-4-oxo-5-(2,3,5,6-tShow More

    Mol. Formula:
    C21H22F4N2O6

    M.W.:
    474.41

    Type:
    Small molecule

    AlogP:
    1.80

    Polar Surface Area:
    113.01

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    ---

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.42

    DETAILS
  12. ALA4228374

    Name:
    (S)-4-oxo-3-(1-(2-oxo-2-(phenylamino)acetyl)piperidine-4-carboxamido)-5-(2,Show More

    Mol. Formula:
    C25H23F4N3O7

    M.W.:
    553.47

    Type:
    Small molecule

    AlogP:
    2.03

    Polar Surface Area:
    142.11

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.25

    DETAILS
  13. ALA4228349

    Name:
    (S)-3-(1-benzoylpiperidine-4-carboxamido)-4-oxo-5-(2,3,5,6-tetrafluorophenoShow More

    Mol. Formula:
    C24H22F4N2O6

    M.W.:
    510.44

    Type:
    Small molecule

    AlogP:
    2.70

    Polar Surface Area:
    113.01

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.40

    DETAILS
  14. ALA4228290

    Name:
    (S)-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)-3-(1-((o-tolyloxy)carbonyl)piperidShow More

    Mol. Formula:
    C25H24F4N2O7

    M.W.:
    540.47

    Type:
    Small molecule

    AlogP:
    3.37

    Polar Surface Area:
    122.24

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  15. ALA4228280

    Name:
    (S)-3-(1-((2-fluorophenoxy)carbonyl)piperidine-4-carboxamido)-4-oxo-5-(2,3,Show More

    Mol. Formula:
    C24H21F5N2O7

    M.W.:
    544.43

    Type:
    Small molecule

    AlogP:
    3.20

    Polar Surface Area:
    122.24

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
  16. ALA4228141

    Name:
    (S)-3-((S)-1-(2-((2-(tert-butyl)phenyl)amino)-2-oxoacetyl)piperidine-3-carbShow More

    Mol. Formula:
    C29H31F4N3O7

    M.W.:
    609.57

    Type:
    Small molecule

    AlogP:
    3.33

    Polar Surface Area:
    142.11

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  17. ALA4227988

    Name:
    (S)-3-(1-(4,4-difluorocyclohexanecarbonyl)piperidine-4-carboxamido)-4-oxo-5Show More

    Mol. Formula:
    C24H26F6N2O6

    M.W.:
    552.47

    Type:
    Small molecule

    AlogP:
    3.21

    Polar Surface Area:
    113.01

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.36

    DETAILS
  18. ALA4227939

    Name:
    (S)-3-(1-(2-((2-chlorophenyl)amino)-2-oxoacetyl)piperidine-4-carboxamido)-4Show More

    Mol. Formula:
    C25H22ClF4N3O7

    M.W.:
    587.91

    Type:
    Small molecule

    AlogP:
    2.68

    Polar Surface Area:
    142.11

    HBA:
    6

    HBD:
    3

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.23

    DETAILS
  19. ALA4227888

    Name:
    (S)-3-(1-(benzo[b]thiophene-2-carbonyl)piperidine-4-carboxamido)-4-oxo-5-(2Show More

    Mol. Formula:
    C26H22F4N2O6S

    M.W.:
    566.53

    Type:
    Small molecule

    AlogP:
    3.92

    Polar Surface Area:
    113.01

    HBA:
    6

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.30

    DETAILS
  20. ALA4227831

    Name:
    (S)-3-(1-(3-chlorobenzoyl)piperidine-4-carboxamido)-4-oxo-5-(2,3,5,6-tetrafShow More

    Mol. Formula:
    C24H21ClF4N2O6

    M.W.:
    544.89

    Type:
    Small molecule

    AlogP:
    3.36

    Polar Surface Area:
    113.01

    HBA:
    5

    HBD:
    2

    #RO5 Violations:
    1

    #Rotatable Bonds:
    9

    Passes Ro3:
    N

    QED Weighted:
    0.37

    DETAILS
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